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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 (2,699)
Thiazoles (1,701)
Pyrazoles (1,357)
Triazoles (569)
Oxazoles (523)
Isoxazoles (233)
Oxadiazoles (203)
Thiadiazoles (68)
Dithiazoles (4)

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886 – 900 of 6,111 results
886

2-(4-Bromophenyl)benzoxazole 98.0+%, TCI America™
SDP

CAS: 3164-13-4 Molecular Formula: C13H8BrNO Molecular Weight (g/mol): 274.12 MDL Number: MFCD00168898 InChI Key: RBVHJNZMSBQFDK-UHFFFAOYSA-N PubChem CID: 12846715 IUPAC Name: 2-(4-bromophenyl)-1,3-benzoxazole SMILES: BrC1=CC=C(C=C1)C1=NC2=CC=CC=C2O1

PubChem CID 12846715
CAS 3164-13-4
Molecular Weight (g/mol) 274.12
MDL Number MFCD00168898
SMILES BrC1=CC=C(C=C1)C1=NC2=CC=CC=C2O1
IUPAC Name 2-(4-bromophenyl)-1,3-benzoxazole
InChI Key RBVHJNZMSBQFDK-UHFFFAOYSA-N
Molecular Formula C13H8BrNO
887

3-Nitro-1,2,4-triazole 98.0+%, TCI America™
SDP

CAS: 24807-55-4 Molecular Formula: C2H2N4O2 Molecular Weight (g/mol): 114.064 MDL Number: MFCD00009749 InChI Key: KUEFXPHXHHANKS-UHFFFAOYSA-N Synonym: 3-nitro-1,2,4-triazole,3-nitro-1h-1,2,4-triazole,3-nitro-4h-1,2,4-triazole,1h-1,2,4-triazole, 3-nitro,s-triazole, 3-nitro,5-nitro-1h-1,2,4 triazole,3-nitro-1,2,4 triazole,zlchem 554,3-nitro-1,4-triazole PubChem CID: 90614 IUPAC Name: 5-nitro-1H-1,2,4-triazole SMILES: C1=NNC(=N1)[N+](=O)[O-]

PubChem CID 90614
CAS 24807-55-4
Molecular Weight (g/mol) 114.064
MDL Number MFCD00009749
SMILES C1=NNC(=N1)[N+](=O)[O-]
Synonym 3-nitro-1,2,4-triazole,3-nitro-1h-1,2,4-triazole,3-nitro-4h-1,2,4-triazole,1h-1,2,4-triazole, 3-nitro,s-triazole, 3-nitro,5-nitro-1h-1,2,4 triazole,3-nitro-1,2,4 triazole,zlchem 554,3-nitro-1,4-triazole
IUPAC Name 5-nitro-1H-1,2,4-triazole
InChI Key KUEFXPHXHHANKS-UHFFFAOYSA-N
Molecular Formula C2H2N4O2
888

1-Butyl-3-methylimidazolium Methyl Sulfate 98.0+%, TCI America™
SDP

CAS: 401788-98-5 Molecular Formula: C9H18N2O4S Molecular Weight (g/mol): 250.31 MDL Number: MFCD03095437 InChI Key: MEMNKNZDROKJHP-UHFFFAOYSA-M Synonym: 1-butyl-3-methylimidazolium methyl sulfate,1-butyl-3-methylimidazolium methylsulfate,bmimmeso4,1-n-butyl-3-methylimidazolium methylsulfate,1-butyl-3-methylimidazolium methyl sulfate 1-,acmc-20aowh,basionics™ lq 02,1-butyl-3-methylimidazolium methylsul-fate,1-butyl-3-methylimidazol-3-ium,methyl sulfate,1-butyl-3-methyl-imidazol-3-ium; methyl sulfate PubChem CID: 12095228 IUPAC Name: 1-butyl-3-methyl-1H-imidazol-3-ium methyl sulfate SMILES: COS([O-])(=O)=O.CCCCN1C=C[N+](C)=C1

PubChem CID 12095228
CAS 401788-98-5
Molecular Weight (g/mol) 250.31
MDL Number MFCD03095437
SMILES COS([O-])(=O)=O.CCCCN1C=C[N+](C)=C1
Synonym 1-butyl-3-methylimidazolium methyl sulfate,1-butyl-3-methylimidazolium methylsulfate,bmimmeso4,1-n-butyl-3-methylimidazolium methylsulfate,1-butyl-3-methylimidazolium methyl sulfate 1-,acmc-20aowh,basionics™ lq 02,1-butyl-3-methylimidazolium methylsul-fate,1-butyl-3-methylimidazol-3-ium,methyl sulfate,1-butyl-3-methyl-imidazol-3-ium; methyl sulfate
IUPAC Name 1-butyl-3-methyl-1H-imidazol-3-ium methyl sulfate
InChI Key MEMNKNZDROKJHP-UHFFFAOYSA-M
Molecular Formula C9H18N2O4S
889

Dorsomorphin 97.0+%, TCI America™
SDP

CAS: 866405-64-3 Molecular Formula: C24H25N5O Molecular Weight (g/mol): 399.50 MDL Number: MFCD08705402 InChI Key: XHBVYDAKJHETMP-UHFFFAOYSA-N Synonym: 6-[4-(2-Piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine PubChem CID: 11524144 ChEBI: CHEBI:78510 IUPAC Name: 4-(6-{4-[2-(piperidin-1-yl)ethoxy]phenyl}pyrazolo[1,5-a]pyrimidin-3-yl)pyridine SMILES: C(CN1CCCCC1)OC1=CC=C(C=C1)C1=CN2N=CC(=C2N=C1)C1=CC=NC=C1

PubChem CID 11524144
CAS 866405-64-3
Molecular Weight (g/mol) 399.50
ChEBI CHEBI:78510
MDL Number MFCD08705402
SMILES C(CN1CCCCC1)OC1=CC=C(C=C1)C1=CN2N=CC(=C2N=C1)C1=CC=NC=C1
Synonym 6-[4-(2-Piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
IUPAC Name 4-(6-{4-[2-(piperidin-1-yl)ethoxy]phenyl}pyrazolo[1,5-a]pyrimidin-3-yl)pyridine
InChI Key XHBVYDAKJHETMP-UHFFFAOYSA-N
Molecular Formula C24H25N5O
890

4-(4,5-Diphenyl-1H-imidazol-2-yl)benzoic Acid 98.0+%, TCI America™
SDP

CAS: 5496-35-5 Molecular Formula: C22H16N2O2 Molecular Weight (g/mol): 340.382 MDL Number: MFCD00999654 InChI Key: BCXPNUSETAZHEQ-UHFFFAOYSA-N PubChem CID: 192811 IUPAC Name: 4-(4,5-diphenyl-1H-imidazol-2-yl)benzoic acid SMILES: C1=CC=C(C=C1)C2=C(N=C(N2)C3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4

PubChem CID 192811
CAS 5496-35-5
Molecular Weight (g/mol) 340.382
MDL Number MFCD00999654
SMILES C1=CC=C(C=C1)C2=C(N=C(N2)C3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4
IUPAC Name 4-(4,5-diphenyl-1H-imidazol-2-yl)benzoic acid
InChI Key BCXPNUSETAZHEQ-UHFFFAOYSA-N
Molecular Formula C22H16N2O2
891

1-(Trifluoromethanesulfonyl)imidazole 98.0+%, TCI America™
SDP

CAS: 29540-81-6 Molecular Formula: C4H3F3N2O2S Molecular Weight (g/mol): 200.14 MDL Number: MFCD00037891 InChI Key: YGABUCCNCBMODG-UHFFFAOYSA-N PubChem CID: 97300 IUPAC Name: 1-trifluoromethanesulfonyl-1H-imidazole SMILES: FC(F)(F)S(=O)(=O)N1C=CN=C1

PubChem CID 97300
CAS 29540-81-6
Molecular Weight (g/mol) 200.14
MDL Number MFCD00037891
SMILES FC(F)(F)S(=O)(=O)N1C=CN=C1
IUPAC Name 1-trifluoromethanesulfonyl-1H-imidazole
InChI Key YGABUCCNCBMODG-UHFFFAOYSA-N
Molecular Formula C4H3F3N2O2S
892

2-Butyl-5-chloro-1H-imidazole-4-carboxaldehyde 98.0+%, TCI America™
SDP

CAS: 83857-96-9 Molecular Formula: C8H11ClN2O Molecular Weight (g/mol): 186.64 MDL Number: MFCD01934396 InChI Key: JLVIHQCWASNXCK-UHFFFAOYSA-N Synonym: 2-butyl-4-chloro-5-formylimidazole,2-butyl-4-chloro-1h-imidazole-5-carbaldehyde,unii-7h170u0swe,2-butyl-5-chloroimidazole-4-carbaldehyde,2-butyl-5-chloro-3h-imidazole-4-carbaldehyde,2-butyl-4 5-chloro-5 4 imidazolecarboxaldehyde,1h-imidazole-4-carboxaldehyde, 2-butyl-5-chloro,2-butyl-4-chloro-1h-imidazole-5-carboxaldehyde,2-butyl-4-chloro-5-formylimidazloe,2-n-butyl-4-chloro-5-formylimidazole PubChem CID: 55176 IUPAC Name: 2-butyl-5-chloro-1H-imidazole-4-carbaldehyde SMILES: CCCCC1=NC(C=O)=C(Cl)N1

PubChem CID 55176
CAS 83857-96-9
Molecular Weight (g/mol) 186.64
MDL Number MFCD01934396
SMILES CCCCC1=NC(C=O)=C(Cl)N1
Synonym 2-butyl-4-chloro-5-formylimidazole,2-butyl-4-chloro-1h-imidazole-5-carbaldehyde,unii-7h170u0swe,2-butyl-5-chloroimidazole-4-carbaldehyde,2-butyl-5-chloro-3h-imidazole-4-carbaldehyde,2-butyl-4 5-chloro-5 4 imidazolecarboxaldehyde,1h-imidazole-4-carboxaldehyde, 2-butyl-5-chloro,2-butyl-4-chloro-1h-imidazole-5-carboxaldehyde,2-butyl-4-chloro-5-formylimidazloe,2-n-butyl-4-chloro-5-formylimidazole
IUPAC Name 2-butyl-5-chloro-1H-imidazole-4-carbaldehyde
InChI Key JLVIHQCWASNXCK-UHFFFAOYSA-N
Molecular Formula C8H11ClN2O
893

1-(2-Hydroxyethyl)-3-methylimidazolium Tetrafluoroborate 98.0+%, TCI America™
SDP

CAS: 374564-83-7 Molecular Formula: C6H11BF4N2O Molecular Weight (g/mol): 213.971 MDL Number: MFCD12761438 InChI Key: KLTUZFZUYLXTFF-UHFFFAOYSA-N PubChem CID: 11344909 IUPAC Name: 2-(3-methylimidazol-3-ium-1-yl)ethanol;tetrafluoroborate SMILES: [B-](F)(F)(F)F.C[N+]1=CN(C=C1)CCO

PubChem CID 11344909
CAS 374564-83-7
Molecular Weight (g/mol) 213.971
MDL Number MFCD12761438
SMILES [B-](F)(F)(F)F.C[N+]1=CN(C=C1)CCO
IUPAC Name 2-(3-methylimidazol-3-ium-1-yl)ethanol;tetrafluoroborate
InChI Key KLTUZFZUYLXTFF-UHFFFAOYSA-N
Molecular Formula C6H11BF4N2O
894

4-Fluoroindazole 98.0+%, TCI America™
SDP

CAS: 341-23-1 Molecular Formula: C7H5FN2 Molecular Weight (g/mol): 136.129 MDL Number: MFCD07371561 InChI Key: YTNDJUBXSVSRQK-UHFFFAOYSA-N PubChem CID: 22477757 IUPAC Name: 4-fluoro-1H-indazole SMILES: C1=CC2=C(C=NN2)C(=C1)F

PubChem CID 22477757
CAS 341-23-1
Molecular Weight (g/mol) 136.129
MDL Number MFCD07371561
SMILES C1=CC2=C(C=NN2)C(=C1)F
IUPAC Name 4-fluoro-1H-indazole
InChI Key YTNDJUBXSVSRQK-UHFFFAOYSA-N
Molecular Formula C7H5FN2
895

1-(2-Cyanoethyl)-2-methylimidazole 98.0+%, TCI America™
SDP

CAS: 23996-55-6 Molecular Formula: C7H9N3 Molecular Weight (g/mol): 135.17 InChI Key: SESYNEDUKZDRJL-UHFFFAOYSA-N Synonym: 3-(2-Methyl-1-imidazolyl)propionitrile PubChem CID: 90328 IUPAC Name: 3-(2-methylimidazol-1-yl)propanenitrile SMILES: CC1=NC=CN1CCC#N

PubChem CID 90328
CAS 23996-55-6
Molecular Weight (g/mol) 135.17
SMILES CC1=NC=CN1CCC#N
Synonym 3-(2-Methyl-1-imidazolyl)propionitrile
IUPAC Name 3-(2-methylimidazol-1-yl)propanenitrile
InChI Key SESYNEDUKZDRJL-UHFFFAOYSA-N
Molecular Formula C7H9N3
896

Febuxostat 97.0+%, TCI America™
SDP

CAS: 144060-53-7 Molecular Formula: C16H16N2O3S Molecular Weight (g/mol): 316.38 MDL Number: MFCD00871598 InChI Key: BQSJTQLCZDPROO-UHFFFAOYSA-N Synonym: febuxostat,adenuric,uloric,feburic,tmx 67,2-3-cyano-4-isobutoxyphenyl-4-methylthiazole-5-carboxylic acid,tmx-67,febuxostat usan,unii-101v0r1n2e,uloric tn PubChem CID: 134018 ChEBI: CHEBI:45943 IUPAC Name: 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid SMILES: CC(C)COC1=CC=C(C=C1C#N)C1=NC(C)=C(S1)C(O)=O

PubChem CID 134018
CAS 144060-53-7
Molecular Weight (g/mol) 316.38
ChEBI CHEBI:45943
MDL Number MFCD00871598
SMILES CC(C)COC1=CC=C(C=C1C#N)C1=NC(C)=C(S1)C(O)=O
Synonym febuxostat,adenuric,uloric,feburic,tmx 67,2-3-cyano-4-isobutoxyphenyl-4-methylthiazole-5-carboxylic acid,tmx-67,febuxostat usan,unii-101v0r1n2e,uloric tn
IUPAC Name 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
InChI Key BQSJTQLCZDPROO-UHFFFAOYSA-N
Molecular Formula C16H16N2O3S
897

Ethyl 3,5-Dimethylisoxazole-4-carboxylate 98.0+%, TCI America™
SDP

CAS: 17147-42-1 Molecular Formula: C8H11NO3 Molecular Weight (g/mol): 169.18 MDL Number: MFCD00052557 InChI Key: OQRHVDXUJAQVNT-UHFFFAOYSA-N Synonym: ethyl 3,5-dimethylisoxazole-4-carboxylate,ethyl 3,5-dimethyl-4-isoxazolecarboxylate,3,5-dimethylisoxazole-4-carboxylic acid ethyl ester,4-isoxazolecarboxylic acid, 3,5-dimethyl-, ethyl ester,3,5-dimethyl-4-ethoxycarbonyl isoxazole,ethyl 3,5-dimethyl-isoxazole-4-carboxylate,acmc-1c48c,ethyldimethylisoxazolecarboxylate,4-carbethoxy-3,5-dimethylisoxazole,4-carboethoxy-3,5-dimethylisoxazole PubChem CID: 736348 IUPAC Name: ethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate SMILES: CCOC(=O)C1=C(ON=C1C)C

PubChem CID 736348
CAS 17147-42-1
Molecular Weight (g/mol) 169.18
MDL Number MFCD00052557
SMILES CCOC(=O)C1=C(ON=C1C)C
Synonym ethyl 3,5-dimethylisoxazole-4-carboxylate,ethyl 3,5-dimethyl-4-isoxazolecarboxylate,3,5-dimethylisoxazole-4-carboxylic acid ethyl ester,4-isoxazolecarboxylic acid, 3,5-dimethyl-, ethyl ester,3,5-dimethyl-4-ethoxycarbonyl isoxazole,ethyl 3,5-dimethyl-isoxazole-4-carboxylate,acmc-1c48c,ethyldimethylisoxazolecarboxylate,4-carbethoxy-3,5-dimethylisoxazole,4-carboethoxy-3,5-dimethylisoxazole
IUPAC Name ethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate
InChI Key OQRHVDXUJAQVNT-UHFFFAOYSA-N
Molecular Formula C8H11NO3
898

1-Benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole 98.0+%, TCI America™
SDP

CAS: 761446-45-1 Molecular Formula: C16H21BN2O2 Molecular Weight (g/mol): 284.166 MDL Number: MFCD03789252 InChI Key: ZVPORPUUZXIPEF-UHFFFAOYSA-N Synonym: 1-benzyl-1h-pyrazole-4-boronic acid pinacol ester,1-phenylmethyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrazole,1-benzyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrazole,1-benzylpyrazole-4-boronic acid pinacol ester,1-benzyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyrazole,1-benzyl-4-1h-pyrazoleboronic acid, pinacol ester,1-benzyl-1h-pyrazole-4-boronic acid, pinacol ester,1-benzyl-1h-pyrazol-4-ylboronic acid, pinacol ester,1-benzyl-4-pyrazoleboronic acid pinacol ester,1-benzyl-4-tetramethyl-1,3,2-dioxaborolan-2-yl pyrazole PubChem CID: 2734771 IUPAC Name: 1-benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CC3=CC=CC=C3

PubChem CID 2734771
CAS 761446-45-1
Molecular Weight (g/mol) 284.166
MDL Number MFCD03789252
SMILES B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CC3=CC=CC=C3
Synonym 1-benzyl-1h-pyrazole-4-boronic acid pinacol ester,1-phenylmethyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrazole,1-benzyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrazole,1-benzylpyrazole-4-boronic acid pinacol ester,1-benzyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyrazole,1-benzyl-4-1h-pyrazoleboronic acid, pinacol ester,1-benzyl-1h-pyrazole-4-boronic acid, pinacol ester,1-benzyl-1h-pyrazol-4-ylboronic acid, pinacol ester,1-benzyl-4-pyrazoleboronic acid pinacol ester,1-benzyl-4-tetramethyl-1,3,2-dioxaborolan-2-yl pyrazole
IUPAC Name 1-benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
InChI Key ZVPORPUUZXIPEF-UHFFFAOYSA-N
Molecular Formula C16H21BN2O2
899

1-Amidinopyrazole Hydrochloride 98.0+%, TCI America™
SDP

CAS: 4023-02-3 Molecular Formula: C4H6N4 Molecular Weight (g/mol): 110.12 MDL Number: MFCD00210087 InChI Key: UCQFSGCWHRTMGG-UHFFFAOYSA-N Synonym: 1h-pyrazole-1-carboxamidine hydrochloride,1h-pyrazole-1-carboximidamide hydrochloride,1-amidinopyrazole hydrochloride,praxadine,pyrazole-1-carboxamidine hydrochloride,pyrazole-1-carboximidamide hydrochloride,pyrazole-1-carboxamidine hcl,1h-pyrazole-1-carboxamidinehydrochloride,praxadine hydrochloride,1h-pyrazole-1-carboxamidine hcl PubChem CID: 2734672 IUPAC Name: pyrazole-1-carboximidamide;hydrochloride SMILES: C1=CN(N=C1)C(=N)N.Cl

PubChem CID 2734672
CAS 4023-02-3
Molecular Weight (g/mol) 110.12
MDL Number MFCD00210087
SMILES C1=CN(N=C1)C(=N)N.Cl
Synonym 1h-pyrazole-1-carboxamidine hydrochloride,1h-pyrazole-1-carboximidamide hydrochloride,1-amidinopyrazole hydrochloride,praxadine,pyrazole-1-carboxamidine hydrochloride,pyrazole-1-carboximidamide hydrochloride,pyrazole-1-carboxamidine hcl,1h-pyrazole-1-carboxamidinehydrochloride,praxadine hydrochloride,1h-pyrazole-1-carboxamidine hcl
IUPAC Name pyrazole-1-carboximidamide;hydrochloride
InChI Key UCQFSGCWHRTMGG-UHFFFAOYSA-N
Molecular Formula C4H6N4
900

1-Phenyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-benzimidazole 98.0+%, TCI America™
SDP

CAS: 952514-86-2 Molecular Formula: C25H25BN2O2 Molecular Weight (g/mol): 396.297 MDL Number: MFCD16038225 InChI Key: IFFQSTWSRPRHBQ-UHFFFAOYSA-N Synonym: 3-(1-Phenyl-1H-benzimidazole-2-yl)phenylboronic Acid Pinacol Ester PubChem CID: 58184542 IUPAC Name: 1-phenyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C3=NC4=CC=CC=C4N3C5=CC=CC=C5

PubChem CID 58184542
CAS 952514-86-2
Molecular Weight (g/mol) 396.297
MDL Number MFCD16038225
SMILES B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C3=NC4=CC=CC=C4N3C5=CC=CC=C5
Synonym 3-(1-Phenyl-1H-benzimidazole-2-yl)phenylboronic Acid Pinacol Ester
IUPAC Name 1-phenyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole
InChI Key IFFQSTWSRPRHBQ-UHFFFAOYSA-N
Molecular Formula C25H25BN2O2