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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.
Imidazoles (676)
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Pyrazoles (278)
Triazoles (195)
Isoxazoles (95)
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1 – 15 of 906 results
1

5-(Bromomethyl)-1-methyl-1H-1,2,3-benzotriazole, 90+%, Thermo Scientific™

CAS: 499770-76-2 Molecular Formula: C8H8BrN3 Molecular Weight (g/mol): 226.077 InChI Key: OSUZHHPMRAIJDY-UHFFFAOYSA-N Synonym: 5-bromomethyl-1-methyl-1h-benzo d 1,2,3 triazole,5-bromomethyl-1-methyl-1h-1,2,3-benzotriazole,5-bromomethyl-1-methylbenzotriazole,5-bromomethyl-1-methyl-benzotriazole,1h-benzotriazole, 5-bromomethyl-1-methyl,5-bromomethyl-1-methyl-1,2,3-benzotriazole,5-bromomethyl-1-methyl-1h-benzotriazole PubChem CID: 2795418 IUPAC Name: 5-(bromomethyl)-1-methylbenzotriazole SMILES: CN1C2=C(C=C(C=C2)CBr)N=N1

PubChem CID 2795418
CAS 499770-76-2
Molecular Weight (g/mol) 226.077
SMILES CN1C2=C(C=C(C=C2)CBr)N=N1
Synonym 5-bromomethyl-1-methyl-1h-benzo d 1,2,3 triazole,5-bromomethyl-1-methyl-1h-1,2,3-benzotriazole,5-bromomethyl-1-methylbenzotriazole,5-bromomethyl-1-methyl-benzotriazole,1h-benzotriazole, 5-bromomethyl-1-methyl,5-bromomethyl-1-methyl-1,2,3-benzotriazole,5-bromomethyl-1-methyl-1h-benzotriazole
IUPAC Name 5-(bromomethyl)-1-methylbenzotriazole
InChI Key OSUZHHPMRAIJDY-UHFFFAOYSA-N
Molecular Formula C8H8BrN3
2

3-(Bromomethyl)-5-methylisoxazole, 97%, Thermo Scientific™

CAS: 130628-75-0 Molecular Formula: C5H6BrNO Molecular Weight (g/mol): 176.01 MDL Number: MFCD02677720 InChI Key: ASGJFGPILHALRC-UHFFFAOYSA-N Synonym: 3-bromomethyl-5-methylisoxazole,3-bromomethyl-5-methyl-1,2-oxazole,3-bromomethyl-5-methyl-isoxazole,isoxazole,3-bromomethyl-5-methyl,zlchem 1313,acmc-1ca86,3-bromomethyl-5-methylisoxazol,5-brimomethyl-3-methylisoxazle PubChem CID: 2776304 IUPAC Name: 3-(bromomethyl)-5-methyl-1,2-oxazole SMILES: CC1=CC(CBr)=NO1

PubChem CID 2776304
CAS 130628-75-0
Molecular Weight (g/mol) 176.01
MDL Number MFCD02677720
SMILES CC1=CC(CBr)=NO1
Synonym 3-bromomethyl-5-methylisoxazole,3-bromomethyl-5-methyl-1,2-oxazole,3-bromomethyl-5-methyl-isoxazole,isoxazole,3-bromomethyl-5-methyl,zlchem 1313,acmc-1ca86,3-bromomethyl-5-methylisoxazol,5-brimomethyl-3-methylisoxazle
IUPAC Name 3-(bromomethyl)-5-methyl-1,2-oxazole
InChI Key ASGJFGPILHALRC-UHFFFAOYSA-N
Molecular Formula C5H6BrNO
3

4-(Bromomethyl)-5-methyl-3-phenylisoxazole, 97%, Thermo Scientific™

CAS: 180597-83-5 Molecular Formula: C11H10BrNO Molecular Weight (g/mol): 252.11 MDL Number: MFCD02677680 InChI Key: UICMWXWMCOJBIQ-UHFFFAOYSA-N PubChem CID: 2776147 IUPAC Name: 4-(bromomethyl)-5-methyl-3-phenyl-1,2-oxazole SMILES: CC1=C(CBr)C(=NO1)C1=CC=CC=C1

PubChem CID 2776147
CAS 180597-83-5
Molecular Weight (g/mol) 252.11
MDL Number MFCD02677680
SMILES CC1=C(CBr)C(=NO1)C1=CC=CC=C1
IUPAC Name 4-(bromomethyl)-5-methyl-3-phenyl-1,2-oxazole
InChI Key UICMWXWMCOJBIQ-UHFFFAOYSA-N
Molecular Formula C11H10BrNO
4

2,5-Dimethyl-1,3-oxazole-4-carboxylic acid, 97%, Thermo Scientific™

CAS: 23000-14-8 Molecular Formula: C6H7NO3 Molecular Weight (g/mol): 141.126 MDL Number: MFCD03011595 InChI Key: LHGRUGVXZLHYKE-UHFFFAOYSA-N Synonym: 2,5-dimethyloxazole-4-carboxylic acid,dimethyl-1,3-oxazole-4-carboxylic acid,4-oxazolecarboxylic acid, 2,5-dimethyl,2,5-dimethyl-1,3-oxazole-4-carboxylicacid,4-carboxy-2,5-dimethyl-1,3-oxazole,2,5-dimethyl-oxazole-4-carboxylic acid,2.5-dimethyl-1,3-oxazole-4-carboxylic acid PubChem CID: 2795465 IUPAC Name: 2,5-dimethyl-1,3-oxazole-4-carboxylic acid SMILES: CC1=C(N=C(O1)C)C(=O)O

PubChem CID 2795465
CAS 23000-14-8
Molecular Weight (g/mol) 141.126
MDL Number MFCD03011595
SMILES CC1=C(N=C(O1)C)C(=O)O
Synonym 2,5-dimethyloxazole-4-carboxylic acid,dimethyl-1,3-oxazole-4-carboxylic acid,4-oxazolecarboxylic acid, 2,5-dimethyl,2,5-dimethyl-1,3-oxazole-4-carboxylicacid,4-carboxy-2,5-dimethyl-1,3-oxazole,2,5-dimethyl-oxazole-4-carboxylic acid,2.5-dimethyl-1,3-oxazole-4-carboxylic acid
IUPAC Name 2,5-dimethyl-1,3-oxazole-4-carboxylic acid
InChI Key LHGRUGVXZLHYKE-UHFFFAOYSA-N
Molecular Formula C6H7NO3
5

2-Bromo-1-methylbenzimidazole, 97%

CAS: 49572-60-3 Molecular Formula: C8H7BrN2 Molecular Weight (g/mol): 211.06 MDL Number: MFCD00839528 InChI Key: PROLKELCEPYEQT-UHFFFAOYSA-N Synonym: 2-bromo-1-methyl-1h-benzo d imidazole,2-bromo-1-methyl-1h-benzoimidazole,1h-benzimidazole, 2-bromo-1-methyl,2-bromo-1-methyl-1h-benzimidazole,2-bromo-1-methyl-1,3-benzodiazole,1-methyl-2-bromo-1h-benzimidazole,2-bromo-1-methyl-1h-1,3-benzodiazole PubChem CID: 797082 SMILES: CN1C(Br)=NC2=CC=CC=C12

PubChem CID 797082
CAS 49572-60-3
Molecular Weight (g/mol) 211.06
MDL Number MFCD00839528
SMILES CN1C(Br)=NC2=CC=CC=C12
Synonym 2-bromo-1-methyl-1h-benzo d imidazole,2-bromo-1-methyl-1h-benzoimidazole,1h-benzimidazole, 2-bromo-1-methyl,2-bromo-1-methyl-1h-benzimidazole,2-bromo-1-methyl-1,3-benzodiazole,1-methyl-2-bromo-1h-benzimidazole,2-bromo-1-methyl-1h-1,3-benzodiazole
InChI Key PROLKELCEPYEQT-UHFFFAOYSA-N
Molecular Formula C8H7BrN2
6

1-Methyl-2-imidazolemethanol, 98%

CAS: 17334-08-6 Molecular Formula: C5H8N2O Molecular Weight (g/mol): 112.132 MDL Number: MFCD00964673 InChI Key: CDQDMLWGTVLQEE-UHFFFAOYSA-N Synonym: 1-methyl-1h-imidazol-2-yl methanol,1-methylimidazol-2-yl methanol,1h-imidazole-2-methanol, 1-methyl,1-methyl-2-imidazolyl methanol,2-hydroxymethyl-1-methylimidazole,imidazole-2-methanol, 1-methyl,1-methyl-1h-imidazole-2-methanol,1-methylimidazol-2-yl methan-1-ol,pubchem9047 PubChem CID: 573612 IUPAC Name: (1-methylimidazol-2-yl)methanol SMILES: CN1C=CN=C1CO

PubChem CID 573612
CAS 17334-08-6
Molecular Weight (g/mol) 112.132
MDL Number MFCD00964673
SMILES CN1C=CN=C1CO
Synonym 1-methyl-1h-imidazol-2-yl methanol,1-methylimidazol-2-yl methanol,1h-imidazole-2-methanol, 1-methyl,1-methyl-2-imidazolyl methanol,2-hydroxymethyl-1-methylimidazole,imidazole-2-methanol, 1-methyl,1-methyl-1h-imidazole-2-methanol,1-methylimidazol-2-yl methan-1-ol,pubchem9047
IUPAC Name (1-methylimidazol-2-yl)methanol
InChI Key CDQDMLWGTVLQEE-UHFFFAOYSA-N
Molecular Formula C5H8N2O
7

N-Heptafluorobutyrylimidazole, ≥98.5% (GC); 98.5-101.0 wt. % (NT), MilliporeSigma™ Supelco™

MDL Number: MFCD00014503 Synonym: 1-(Perfluorobutyryl)imidazole; NSC 151966

MDL Number MFCD00014503
Synonym 1-(Perfluorobutyryl)imidazole; NSC 151966
8

1-Ethyl-2,3-dimethylimidazolium chloride, 97%

CAS: 92507-97-6 Molecular Formula: C7H13N2 Molecular Weight (g/mol): 125.19 MDL Number: MFCD03093290 InChI Key: IRGDPGYNHSIIJJ-UHFFFAOYSA-N Synonym: 1-ethyl-2,3-dimethylimidazolium chloride,1-ethyl-2,3-dimethyl-1h-imidazol-3-ium chloride,ksc496m4d,1,2-dimethyl-3-ethylimidazolium chloride,1-ethyl-2,3-dimethyl-imidazolium chloride,1-ethyl-2,3-dimethylimidazol-3-ium chloride,1-ethyl-2,3-dimethylimidazol-1-ium chloride,3-ethyl-1,2-dimethylimidazol-1-ium chloride,1-ethyl-2,3-dimethylimidazolium chloride t PubChem CID: 2734165 IUPAC Name: 1-ethyl-2,3-dimethylimidazol-3-ium;chloride SMILES: CCN1C=C[N+](C)=C1C

PubChem CID 2734165
CAS 92507-97-6
Molecular Weight (g/mol) 125.19
MDL Number MFCD03093290
SMILES CCN1C=C[N+](C)=C1C
Synonym 1-ethyl-2,3-dimethylimidazolium chloride,1-ethyl-2,3-dimethyl-1h-imidazol-3-ium chloride,ksc496m4d,1,2-dimethyl-3-ethylimidazolium chloride,1-ethyl-2,3-dimethyl-imidazolium chloride,1-ethyl-2,3-dimethylimidazol-3-ium chloride,1-ethyl-2,3-dimethylimidazol-1-ium chloride,3-ethyl-1,2-dimethylimidazol-1-ium chloride,1-ethyl-2,3-dimethylimidazolium chloride t
IUPAC Name 1-ethyl-2,3-dimethylimidazol-3-ium;chloride
InChI Key IRGDPGYNHSIIJJ-UHFFFAOYSA-N
Molecular Formula C7H13N2
9

1-Ethyl-2,3-dimethylimidazolium tetrafluoroborate, 98%, Thermo Scientific™

CAS: 307492-75-7 Molecular Formula: C7H13BF4N2 Molecular Weight (g/mol): 212.00 MDL Number: MFCD08458929 InChI Key: KNIWGPCMWBGRBE-UHFFFAOYSA-N Synonym: 1-ethyl-2,3-dimethylimidazolium tetrafluoroborate,1-ethyl-2,3-dimethyl-1h-imidazol-3-ium tetrafluoroborate,3-ethyl-1,2-dimethylimidazol-1-ium tetrafluoroborate,dsstox_cid_29122,dsstox_rid_83341,dsstox_gsid_49266,1-ethyl 2,3 dimethyl imidazolium tetrafluoroborate,1-ethyl-2,3-dimethylimidazol-1-ium tetrafluoroborate PubChem CID: 21977262 IUPAC Name: 1-ethyl-2,3-dimethyl-1H-imidazol-3-ium; tetrafluoroboranuide SMILES: F[B-](F)(F)F.CCN1C=C[N+](C)=C1C

PubChem CID 21977262
CAS 307492-75-7
Molecular Weight (g/mol) 212.00
MDL Number MFCD08458929
SMILES F[B-](F)(F)F.CCN1C=C[N+](C)=C1C
Synonym 1-ethyl-2,3-dimethylimidazolium tetrafluoroborate,1-ethyl-2,3-dimethyl-1h-imidazol-3-ium tetrafluoroborate,3-ethyl-1,2-dimethylimidazol-1-ium tetrafluoroborate,dsstox_cid_29122,dsstox_rid_83341,dsstox_gsid_49266,1-ethyl 2,3 dimethyl imidazolium tetrafluoroborate,1-ethyl-2,3-dimethylimidazol-1-ium tetrafluoroborate
IUPAC Name 1-ethyl-2,3-dimethyl-1H-imidazol-3-ium; tetrafluoroboranuide
InChI Key KNIWGPCMWBGRBE-UHFFFAOYSA-N
Molecular Formula C7H13BF4N2
10

1,2-Dimethylimidazole, 98%

CAS: 1739-84-0 Molecular Formula: C5H8N2 Molecular Weight (g/mol): 96.13 MDL Number: MFCD00005294 InChI Key: GIWQSPITLQVMSG-UHFFFAOYSA-N Synonym: 1,2-dimethyl-1h-imidazole,1h-imidazole, 1,2-dimethyl,imidazole, 1,2-dimethyl,1h-imidazole, dimethyl,unii-q41bc3grjb,q41bc3grjb,lupragen r dmi,1,2-dimethylimdazole,1,2 dimethylimidazole,n,2-dimethylimidazole PubChem CID: 15617 IUPAC Name: 1,2-dimethylimidazole SMILES: CN1C=CN=C1C

PubChem CID 15617
CAS 1739-84-0
Molecular Weight (g/mol) 96.13
MDL Number MFCD00005294
SMILES CN1C=CN=C1C
Synonym 1,2-dimethyl-1h-imidazole,1h-imidazole, 1,2-dimethyl,imidazole, 1,2-dimethyl,1h-imidazole, dimethyl,unii-q41bc3grjb,q41bc3grjb,lupragen r dmi,1,2-dimethylimdazole,1,2 dimethylimidazole,n,2-dimethylimidazole
IUPAC Name 1,2-dimethylimidazole
InChI Key GIWQSPITLQVMSG-UHFFFAOYSA-N
Molecular Formula C5H8N2
11

4-Aminoimidazole-5-carboxamide, 95%

CAS: 360-97-4 Molecular Formula: C4H6N4O Molecular Weight (g/mol): 126.12 MDL Number: MFCD02181040 InChI Key: DVNYTAVYBRSTGK-UHFFFAOYSA-N Synonym: 5-aminoimidazole-4-carboxamide,5-amino-1h-imidazole-4-carboxamide,4-amino-5-imidazolecarboxamide,5-amino-4-imidazolecarboxamide,colahepat,4-aminoimidazole-5-carboxamide,aica,1h-imidazole-4-carboxamide, 5-amino,diazol-c,4-carbamoyl-5-aminoimidazole PubChem CID: 9679 ChEBI: CHEBI:2030 IUPAC Name: 4-amino-1H-imidazole-5-carboxamide SMILES: NC(=O)C1=C(N)N=CN1

PubChem CID 9679
CAS 360-97-4
Molecular Weight (g/mol) 126.12
ChEBI CHEBI:2030
MDL Number MFCD02181040
SMILES NC(=O)C1=C(N)N=CN1
Synonym 5-aminoimidazole-4-carboxamide,5-amino-1h-imidazole-4-carboxamide,4-amino-5-imidazolecarboxamide,5-amino-4-imidazolecarboxamide,colahepat,4-aminoimidazole-5-carboxamide,aica,1h-imidazole-4-carboxamide, 5-amino,diazol-c,4-carbamoyl-5-aminoimidazole
IUPAC Name 4-amino-1H-imidazole-5-carboxamide
InChI Key DVNYTAVYBRSTGK-UHFFFAOYSA-N
Molecular Formula C4H6N4O
12

Metronidazole, 99%

CAS: 443-48-1 Molecular Formula: C6H9N3O3 Molecular Weight (g/mol): 171.156 MDL Number: MFCD00009750 InChI Key: VAOCPAMSLUNLGC-UHFFFAOYSA-N Synonym: metronidazole,metronidazol,flagyl,2-methyl-5-nitroimidazole-1-ethanol,anagiardil,trichazol,gineflavir,meronidal,metronidaz,novonidazol PubChem CID: 4173 ChEBI: CHEBI:6909 IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethanol SMILES: CC1=NC=C(N1CCO)[N+](=O)[O-]

PubChem CID 4173
CAS 443-48-1
Molecular Weight (g/mol) 171.156
ChEBI CHEBI:6909
MDL Number MFCD00009750
SMILES CC1=NC=C(N1CCO)[N+](=O)[O-]
Synonym metronidazole,metronidazol,flagyl,2-methyl-5-nitroimidazole-1-ethanol,anagiardil,trichazol,gineflavir,meronidal,metronidaz,novonidazol
IUPAC Name 2-(2-methyl-5-nitroimidazol-1-yl)ethanol
InChI Key VAOCPAMSLUNLGC-UHFFFAOYSA-N
Molecular Formula C6H9N3O3
13

1-Ethyl-3-methylimidazolium methyl sulfate, 98%

CAS: 516474-01-4 Molecular Formula: C7H14N2O4S Molecular Weight (g/mol): 222.259 MDL Number: MFCD08457697 InChI Key: BXSDLSWVIAITRQ-UHFFFAOYSA-M Synonym: 1-ethyl-3-methylimidazolium methyl sulfate,1-ethyl-3-methylimidazolium methylsulfate,1-ethyl-3-methyl-1h-imidazol-3-ium methyl sulfate,1-ethyl-3-methylimidazolium methyl sulfate 1-,1-ethyl-3-methylimidazoliummethylsulfate,dsstox_cid_29266,dsstox_rid_83385,dsstox_gsid_49310,1-ethyl-3-methylimidazolium methylsul-fate,1-ethyl-3-methylimidazolium methyl sulfate hplc PubChem CID: 16211409 IUPAC Name: 1-ethyl-3-methylimidazol-3-ium;methyl sulfate SMILES: CCN1C=C[N+](=C1)C.COS(=O)(=O)[O-]

PubChem CID 16211409
CAS 516474-01-4
Molecular Weight (g/mol) 222.259
MDL Number MFCD08457697
SMILES CCN1C=C[N+](=C1)C.COS(=O)(=O)[O-]
Synonym 1-ethyl-3-methylimidazolium methyl sulfate,1-ethyl-3-methylimidazolium methylsulfate,1-ethyl-3-methyl-1h-imidazol-3-ium methyl sulfate,1-ethyl-3-methylimidazolium methyl sulfate 1-,1-ethyl-3-methylimidazoliummethylsulfate,dsstox_cid_29266,dsstox_rid_83385,dsstox_gsid_49310,1-ethyl-3-methylimidazolium methylsul-fate,1-ethyl-3-methylimidazolium methyl sulfate hplc
IUPAC Name 1-ethyl-3-methylimidazol-3-ium;methyl sulfate
InChI Key BXSDLSWVIAITRQ-UHFFFAOYSA-M
Molecular Formula C7H14N2O4S
14

1-Methylbenzimidazole, 99%

CAS: 1632-83-3 Molecular Formula: C8H8N2 Molecular Weight (g/mol): 132.17 MDL Number: MFCD00192275 InChI Key: FGYADSCZTQOAFK-UHFFFAOYSA-N Synonym: 1-methyl-1h-benzimidazole,1h-benzimidazole, 1-methyl,methylbenzimidazole,unii-12lw89n19y,1-methyl-1h-benzo d imidazole,1h-benzimidazole, methyl,1-methyl-1,3-benzodiazole,1-methyl-1h-1,3-benzodiazole,pubchem7613,1-methylbenzimidazole PubChem CID: 95890 SMILES: CN1C=NC2=CC=CC=C12

PubChem CID 95890
CAS 1632-83-3
Molecular Weight (g/mol) 132.17
MDL Number MFCD00192275
SMILES CN1C=NC2=CC=CC=C12
Synonym 1-methyl-1h-benzimidazole,1h-benzimidazole, 1-methyl,methylbenzimidazole,unii-12lw89n19y,1-methyl-1h-benzo d imidazole,1h-benzimidazole, methyl,1-methyl-1,3-benzodiazole,1-methyl-1h-1,3-benzodiazole,pubchem7613,1-methylbenzimidazole
InChI Key FGYADSCZTQOAFK-UHFFFAOYSA-N
Molecular Formula C8H8N2
15

1-Methyl-5-(tri-n-butylstannyl)imidazole, 90+%, Thermo Scientific™

CAS: 147716-03-8 Molecular Formula: C16H32N2Sn Molecular Weight (g/mol): 371.156 MDL Number: MFCD01319031 InChI Key: OGYWKJKAIAEDQX-UHFFFAOYSA-N PubChem CID: 10915651 IUPAC Name: tributyl-(3-methylimidazol-4-yl)stannane SMILES: CCCC[Sn](CCCC)(CCCC)C1=CN=CN1C

PubChem CID 10915651
CAS 147716-03-8
Molecular Weight (g/mol) 371.156
MDL Number MFCD01319031
SMILES CCCC[Sn](CCCC)(CCCC)C1=CN=CN1C
IUPAC Name tributyl-(3-methylimidazol-4-yl)stannane
InChI Key OGYWKJKAIAEDQX-UHFFFAOYSA-N
Molecular Formula C16H32N2Sn