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Azoles

Organic compounds that consist of five-membered heterocyclic molecules containing a nitrogen atom and at least one other non-carbon atom as part of the ring.
Thiazoles (216)
Imidazoles (135)
Pyrazoles (99)
Isoxazoles (95)
Oxazoles (69)
Triazoles (36)
Oxadiazoles (21)
Thiadiazoles (14)

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2

2-(2,3-Dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid, 97%, Thermo Scientific™

CAS: 690632-04-3 Molecular Formula: C13H11NO3S Molecular Weight (g/mol): 261.295 MDL Number: MFCD01313483 InChI Key: DCXMMNGTUXDRND-UHFFFAOYSA-N Synonym: 2-2,3-dihydro-1-benzofuran-5-yl-4-methyl-1,3-thiazole-5-carboxylic acid,2-2,3-dihydrobenzofuran-5-yl-4-methylthiazole-5-carboxylic acid,2-2,3-dihydro-1-benzo b furan-5-yl-4-methyl-1,3-thiazole-5-carboxylic acid,2-2,3-dihydrobenzo b furan-5-yl-4-methyl-1,3-thiazole-5-carboxylic acid PubChem CID: 2798545 IUPAC Name: 2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid SMILES: CC1=C(SC(=N1)C2=CC3=C(C=C2)OCC3)C(=O)O

PubChem CID 2798545
CAS 690632-04-3
Molecular Weight (g/mol) 261.295
MDL Number MFCD01313483
SMILES CC1=C(SC(=N1)C2=CC3=C(C=C2)OCC3)C(=O)O
Synonym 2-2,3-dihydro-1-benzofuran-5-yl-4-methyl-1,3-thiazole-5-carboxylic acid,2-2,3-dihydrobenzofuran-5-yl-4-methylthiazole-5-carboxylic acid,2-2,3-dihydro-1-benzo b furan-5-yl-4-methyl-1,3-thiazole-5-carboxylic acid,2-2,3-dihydrobenzo b furan-5-yl-4-methyl-1,3-thiazole-5-carboxylic acid
IUPAC Name 2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
InChI Key DCXMMNGTUXDRND-UHFFFAOYSA-N
Molecular Formula C13H11NO3S
3

5-(tert-Butyl)-3-(chloromethyl)-1,2,4-oxadiazole, 95+%, Thermo Scientific™

CAS: 175205-41-1 Molecular Formula: C7H11ClN2O Molecular Weight (g/mol): 174.628 InChI Key: AIVSLDAXUIRICJ-UHFFFAOYSA-N PubChem CID: 2796738 IUPAC Name: 5-tert-butyl-3-(chloromethyl)-1,2,4-oxadiazole SMILES: CC(C)(C)C1=NC(=NO1)CCl

PubChem CID 2796738
CAS 175205-41-1
Molecular Weight (g/mol) 174.628
SMILES CC(C)(C)C1=NC(=NO1)CCl
IUPAC Name 5-tert-butyl-3-(chloromethyl)-1,2,4-oxadiazole
InChI Key AIVSLDAXUIRICJ-UHFFFAOYSA-N
Molecular Formula C7H11ClN2O
4

2-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxylic acid, Thermo Scientific™

CAS: 257876-07-6 Molecular Formula: C10H5Cl2NO2S Molecular Weight (g/mol): 274.115 InChI Key: ANTJCNIMRNBFMJ-UHFFFAOYSA-N Synonym: 2-2,3-dichlorophenyl-1,3-thiazole-4-carboxylic acid,2-2,3-dichloro-phenyl-thiazole-4-carboxylic acid,2-2,3-dichlorophenyl thiazole-4-carboxylic acid,4-thiazolecarboxylicacid, 2-2,3-dichlorophenyl PubChem CID: 2743987 IUPAC Name: 2-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxylic acid SMILES: C1=CC(=C(C(=C1)Cl)Cl)C2=NC(=CS2)C(=O)O

PubChem CID 2743987
CAS 257876-07-6
Molecular Weight (g/mol) 274.115
SMILES C1=CC(=C(C(=C1)Cl)Cl)C2=NC(=CS2)C(=O)O
Synonym 2-2,3-dichlorophenyl-1,3-thiazole-4-carboxylic acid,2-2,3-dichloro-phenyl-thiazole-4-carboxylic acid,2-2,3-dichlorophenyl thiazole-4-carboxylic acid,4-thiazolecarboxylicacid, 2-2,3-dichlorophenyl
IUPAC Name 2-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxylic acid
InChI Key ANTJCNIMRNBFMJ-UHFFFAOYSA-N
Molecular Formula C10H5Cl2NO2S
5

2-Methyl-1H-imidazole-4-carbaldehyde, 97%, Thermo Scientific™

CAS: 35034-22-1 Molecular Formula: C5H6N2O Molecular Weight (g/mol): 110.116 InChI Key: ZWULFIBGPXWGFG-UHFFFAOYSA-N Synonym: 2-methyl-1h-imidazole-4-carbaldehyde,2-methyl-4-formylimidazole,2-methylimidazole-4-carbaldehyde,4-formyl-2-methyl-1h-imidazole,2-methylimidazole-5-carboxaldehyde,2-methyl-3h-imidazole-4-carbaldehyde,2-methyl-1h-imidazole-4-carboxaldehyde,4-formyl-2-methylimidazole,2-methyl-4-imidazolecarboxaldehyde,2-methyl-1h-imidazole-5-carboxaldehyde PubChem CID: 2795878 IUPAC Name: 2-methyl-1H-imidazole-5-carbaldehyde SMILES: CC1=NC=C(N1)C=O

PubChem CID 2795878
CAS 35034-22-1
Molecular Weight (g/mol) 110.116
SMILES CC1=NC=C(N1)C=O
Synonym 2-methyl-1h-imidazole-4-carbaldehyde,2-methyl-4-formylimidazole,2-methylimidazole-4-carbaldehyde,4-formyl-2-methyl-1h-imidazole,2-methylimidazole-5-carboxaldehyde,2-methyl-3h-imidazole-4-carbaldehyde,2-methyl-1h-imidazole-4-carboxaldehyde,4-formyl-2-methylimidazole,2-methyl-4-imidazolecarboxaldehyde,2-methyl-1h-imidazole-5-carboxaldehyde
IUPAC Name 2-methyl-1H-imidazole-5-carbaldehyde
InChI Key ZWULFIBGPXWGFG-UHFFFAOYSA-N
Molecular Formula C5H6N2O
6

1-Methyl-1H-imidazole-4-sulfonamide, 97%, Thermo Scientific™

CAS: 111124-90-4 Molecular Formula: C4H7N3O2S Molecular Weight (g/mol): 161.18 MDL Number: MFCD02091382 InChI Key: QBJSSOBNVYDCDQ-UHFFFAOYSA-N PubChem CID: 2736885 IUPAC Name: 1-methylimidazole-4-sulfonamide SMILES: CN1C=NC(=C1)S(N)(=O)=O

PubChem CID 2736885
CAS 111124-90-4
Molecular Weight (g/mol) 161.18
MDL Number MFCD02091382
SMILES CN1C=NC(=C1)S(N)(=O)=O
IUPAC Name 1-methylimidazole-4-sulfonamide
InChI Key QBJSSOBNVYDCDQ-UHFFFAOYSA-N
Molecular Formula C4H7N3O2S
7

5-chlorobenzo[d]isoxazol-3-ol, Thermo Scientific™

CAS: 24603-63-2 Molecular Formula: C7H4ClNO2 Molecular Weight (g/mol): 169.564 InChI Key: WIZWHBRFTCYPDN-UHFFFAOYSA-N Synonym: 5-chlorobenzo d isoxazol-3-ol,5-chloro-3-hydroxybenzisoxazole,5-chloro-1,2-benzoxazol-3-ol,5-chloro-1,2-benzisoxazol-3 2h-one,1,2-benzisoxazol-3 2h-one, 5-chloro,5-chloro-2h-1,2-benzoxazol-3-one,pubchem24257,5-chloro-benzo d isoxazol-3-ol,5-chloro-benzo d isoxazol-3-one,5-chlorobenzo d isoxazol-3 2h-one PubChem CID: 3714169 IUPAC Name: 5-chloro-1,2-benzoxazol-3-one SMILES: C1=CC2=C(C=C1Cl)C(=O)NO2

PubChem CID 3714169
CAS 24603-63-2
Molecular Weight (g/mol) 169.564
SMILES C1=CC2=C(C=C1Cl)C(=O)NO2
Synonym 5-chlorobenzo d isoxazol-3-ol,5-chloro-3-hydroxybenzisoxazole,5-chloro-1,2-benzoxazol-3-ol,5-chloro-1,2-benzisoxazol-3 2h-one,1,2-benzisoxazol-3 2h-one, 5-chloro,5-chloro-2h-1,2-benzoxazol-3-one,pubchem24257,5-chloro-benzo d isoxazol-3-ol,5-chloro-benzo d isoxazol-3-one,5-chlorobenzo d isoxazol-3 2h-one
IUPAC Name 5-chloro-1,2-benzoxazol-3-one
InChI Key WIZWHBRFTCYPDN-UHFFFAOYSA-N
Molecular Formula C7H4ClNO2
8

5-(4-Chlorophenyl)-1-methyl-1H-imidazole-2-thiol, 97%, Thermo Scientific™

CAS: 17452-31-2 Molecular Formula: C10H9ClN2S Molecular Weight (g/mol): 224.71 MDL Number: MFCD01313844 InChI Key: RGYNOPLNIDBIGT-UHFFFAOYSA-N Synonym: 5-4-chlorophenyl-1-methyl-1h-imidazole-2-thiol,5-4-chlorophenyl-1-methylimidazole-2-thiol,maybridge1_000141,4-4-chlorophenyl-3-methyl-1h-imidazole-2-thione,5-4-chlorophenyl-1-methyl-3h-imidazole-2-thione,2h-imidazole-2-thione,5-4-chlorophenyl-1,3-dihydro-1-methyl PubChem CID: 2747520 IUPAC Name: 4-(4-chlorophenyl)-3-methyl-1H-imidazole-2-thione SMILES: CN1C(=S)NC=C1C1=CC=C(Cl)C=C1

PubChem CID 2747520
CAS 17452-31-2
Molecular Weight (g/mol) 224.71
MDL Number MFCD01313844
SMILES CN1C(=S)NC=C1C1=CC=C(Cl)C=C1
Synonym 5-4-chlorophenyl-1-methyl-1h-imidazole-2-thiol,5-4-chlorophenyl-1-methylimidazole-2-thiol,maybridge1_000141,4-4-chlorophenyl-3-methyl-1h-imidazole-2-thione,5-4-chlorophenyl-1-methyl-3h-imidazole-2-thione,2h-imidazole-2-thione,5-4-chlorophenyl-1,3-dihydro-1-methyl
IUPAC Name 4-(4-chlorophenyl)-3-methyl-1H-imidazole-2-thione
InChI Key RGYNOPLNIDBIGT-UHFFFAOYSA-N
Molecular Formula C10H9ClN2S
9

5-Methyl-3-phenylisoxazole-4-carbonyl chloride, 90%, Thermo Scientific™

CAS: 16883-16-2 Molecular Formula: C11H8ClNO2 Molecular Weight (g/mol): 221.64 MDL Number: MFCD00052205 InChI Key: HXEVQMXCHCDPSO-UHFFFAOYSA-N Synonym: 5-methyl-3-phenylisoxazole-4-carbonyl chloride,pmic chloride,unii-97ot2t1w6v,3-phenyl-5-methylisoxazole-4-carbonyl chloride,4-isoxazolecarbonyl chloride, 5-methyl-3-phenyl,5-methyl-3-phenyl-4-isoxazolecarbonyl chloride,3-phenyl-5-methyl-isoxazole-4-carbonyl,pubchem8723,acmc-20am25,dsstox_cid_31452 PubChem CID: 85624 IUPAC Name: 5-methyl-3-phenyl-1,2-oxazole-4-carbonyl chloride SMILES: CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)Cl

PubChem CID 85624
CAS 16883-16-2
Molecular Weight (g/mol) 221.64
MDL Number MFCD00052205
SMILES CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)Cl
Synonym 5-methyl-3-phenylisoxazole-4-carbonyl chloride,pmic chloride,unii-97ot2t1w6v,3-phenyl-5-methylisoxazole-4-carbonyl chloride,4-isoxazolecarbonyl chloride, 5-methyl-3-phenyl,5-methyl-3-phenyl-4-isoxazolecarbonyl chloride,3-phenyl-5-methyl-isoxazole-4-carbonyl,pubchem8723,acmc-20am25,dsstox_cid_31452
IUPAC Name 5-methyl-3-phenyl-1,2-oxazole-4-carbonyl chloride
InChI Key HXEVQMXCHCDPSO-UHFFFAOYSA-N
Molecular Formula C11H8ClNO2
10

(1-Methyl-1H-pyrazol-3-yl)methanol, 95%, Thermo Scientific™

CAS: 84547-62-6 Molecular Formula: C5H8N2O Molecular Weight (g/mol): 112.132 MDL Number: MFCD08690274 InChI Key: WCKJRVKJTUIAFW-UHFFFAOYSA-N PubChem CID: 12845046 IUPAC Name: (1-methylpyrazol-3-yl)methanol SMILES: CN1C=CC(=N1)CO

PubChem CID 12845046
CAS 84547-62-6
Molecular Weight (g/mol) 112.132
MDL Number MFCD08690274
SMILES CN1C=CC(=N1)CO
IUPAC Name (1-methylpyrazol-3-yl)methanol
InChI Key WCKJRVKJTUIAFW-UHFFFAOYSA-N
Molecular Formula C5H8N2O
11

5-(2-Bromophenyl)-1,3-oxazole, ≥97%, Thermo Scientific™

CAS: 328270-70-8 Molecular Formula: C9H6BrNO Molecular Weight (g/mol): 224.057 MDL Number: MFCD05668985 InChI Key: JLTHLCLAPCIKJJ-UHFFFAOYSA-N Synonym: 5-2-bromophenyl oxazole,5-2-bromophenyl-1,3-oxazole,oxazole,5-2-bromophenyl PubChem CID: 3780551 IUPAC Name: 5-(2-bromophenyl)-1,3-oxazole SMILES: C1=CC=C(C(=C1)C2=CN=CO2)Br

PubChem CID 3780551
CAS 328270-70-8
Molecular Weight (g/mol) 224.057
MDL Number MFCD05668985
SMILES C1=CC=C(C(=C1)C2=CN=CO2)Br
Synonym 5-2-bromophenyl oxazole,5-2-bromophenyl-1,3-oxazole,oxazole,5-2-bromophenyl
IUPAC Name 5-(2-bromophenyl)-1,3-oxazole
InChI Key JLTHLCLAPCIKJJ-UHFFFAOYSA-N
Molecular Formula C9H6BrNO
12

4-(1H-Imidazol-1-ylmethyl)benzonitrile, ≥97%, Thermo Scientific™

CAS: 112809-54-8 Molecular Formula: C11H9N3 Molecular Weight (g/mol): 183.214 MDL Number: MFCD08060525 InChI Key: LUSFCTSUDCCYLQ-UHFFFAOYSA-N Synonym: 4-1h-imidazol-1-ylmethyl benzonitrile,4-imidazol-1-ylmethyl benzonitrile,1-4-cyanobenzyl imidazole,4-1h-imidazol-1-yl methyl benzonitrile,1-4-cyanobenzyl-1h-imidazole,4-imidazol-1-ylmethyl-benzonitrile,4-1-imidazolylmethyl-benzonitrile,benzonitrile,4-1h-imidazol-1-ylmethyl,acmc-1cab3 PubChem CID: 1236449 IUPAC Name: 4-(imidazol-1-ylmethyl)benzonitrile SMILES: C1=CC(=CC=C1CN2C=CN=C2)C#N

PubChem CID 1236449
CAS 112809-54-8
Molecular Weight (g/mol) 183.214
MDL Number MFCD08060525
SMILES C1=CC(=CC=C1CN2C=CN=C2)C#N
Synonym 4-1h-imidazol-1-ylmethyl benzonitrile,4-imidazol-1-ylmethyl benzonitrile,1-4-cyanobenzyl imidazole,4-1h-imidazol-1-yl methyl benzonitrile,1-4-cyanobenzyl-1h-imidazole,4-imidazol-1-ylmethyl-benzonitrile,4-1-imidazolylmethyl-benzonitrile,benzonitrile,4-1h-imidazol-1-ylmethyl,acmc-1cab3
IUPAC Name 4-(imidazol-1-ylmethyl)benzonitrile
InChI Key LUSFCTSUDCCYLQ-UHFFFAOYSA-N
Molecular Formula C11H9N3
14

2-Methyl-1,3-thiazole-4-carboximidamide hydrochloride, 97%, Thermo Scientific™

CAS: 18876-82-9 Molecular Formula: C5H8ClN3S Molecular Weight (g/mol): 177.65 MDL Number: MFCD00178765 InChI Key: YYLYRAUCGUIGIE-UHFFFAOYSA-N Synonym: 2-methyl-1,3-thiazole-4-carboximidamide hydrochloride,2-methylthiazole-4-carboxamidine hydrochloride,2-methyl-thiazole-4-carboxamidine hydrochloride,2-methylthiazole-4-carboximidamide hydrochloride,2-methyl-1,3-thiazole-4-carboxamidine, chloride,4-thiazolecarboximidamide,2-methyl-,hydrochloride 1:1 PubChem CID: 2799402 IUPAC Name: 2-methyl-1,3-thiazole-4-carboximidamide;hydrochloride SMILES: CC1=NC(=CS1)C(=N)N.Cl

PubChem CID 2799402
CAS 18876-82-9
Molecular Weight (g/mol) 177.65
MDL Number MFCD00178765
SMILES CC1=NC(=CS1)C(=N)N.Cl
Synonym 2-methyl-1,3-thiazole-4-carboximidamide hydrochloride,2-methylthiazole-4-carboxamidine hydrochloride,2-methyl-thiazole-4-carboxamidine hydrochloride,2-methylthiazole-4-carboximidamide hydrochloride,2-methyl-1,3-thiazole-4-carboxamidine, chloride,4-thiazolecarboximidamide,2-methyl-,hydrochloride 1:1
IUPAC Name 2-methyl-1,3-thiazole-4-carboximidamide;hydrochloride
InChI Key YYLYRAUCGUIGIE-UHFFFAOYSA-N
Molecular Formula C5H8ClN3S
15

2-Butyl-1H-imidazole-4-carbaldehyde, 97%, Thermo Scientific™

CAS: 68282-49-5 Molecular Formula: C8H12N2O Molecular Weight (g/mol): 152.197 MDL Number: MFCD01075030 InChI Key: PTHGVOCFAZSNNA-UHFFFAOYSA-N Synonym: 2-butyl-1h-imidazole-4-carbaldehyde,2-butyl-5-formylimidazole,2-butyl-4-formylimidazole,2-butyl-4-imidazolyl formaldehyde,unii-u12g73sqsx,2-butyl-1h-imidazole-5-carboxaldehyde,u12g73sqsx,1h-imidazole-5-carboxaldehyde, 2-butyl,2-butylimidazole-4-carbaldehyde,2-butyl-3h-imidazole-4-carbaldehyde PubChem CID: 2735671 IUPAC Name: 2-butyl-1H-imidazole-5-carbaldehyde SMILES: CCCCC1=NC=C(N1)C=O

PubChem CID 2735671
CAS 68282-49-5
Molecular Weight (g/mol) 152.197
MDL Number MFCD01075030
SMILES CCCCC1=NC=C(N1)C=O
Synonym 2-butyl-1h-imidazole-4-carbaldehyde,2-butyl-5-formylimidazole,2-butyl-4-formylimidazole,2-butyl-4-imidazolyl formaldehyde,unii-u12g73sqsx,2-butyl-1h-imidazole-5-carboxaldehyde,u12g73sqsx,1h-imidazole-5-carboxaldehyde, 2-butyl,2-butylimidazole-4-carbaldehyde,2-butyl-3h-imidazole-4-carbaldehyde
IUPAC Name 2-butyl-1H-imidazole-5-carbaldehyde
InChI Key PTHGVOCFAZSNNA-UHFFFAOYSA-N
Molecular Formula C8H12N2O