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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 (3,838)
Thiazoles (3,195)
Pyrazoles (1,589)
Oxazoles (830)
Triazoles (616)
Oxadiazoles (289)
Isoxazoles (240)
Thiadiazoles (83)
Dithiazoles (4)

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1,036 – 1,050 of 9,463 results
1,036

3-Nitropyrazole 98.0+%, TCI America™

CAS: 26621-44-3 Molecular Formula: C3H3N3O2 Molecular Weight (g/mol): 113.08 MDL Number: MFCD00159621,MFCD00238787 InChI Key: MZRUFMBFIKGOAL-UHFFFAOYSA-N Synonym: 3-nitro-1h-pyrazole,3-nitropyrazole,1h-pyrazole, 3-nitro,3-nitro-2h-pyrazole,nitropyrazole,pyrazole, 3-nitro,5-nitro-1h-pyrazol,djw 94,djw-94,5-nitropyrazole PubChem CID: 123419 IUPAC Name: 5-nitro-1H-pyrazole SMILES: [O-][N+](=O)C1=CC=NN1

PubChem CID 123419
CAS 26621-44-3
Molecular Weight (g/mol) 113.08
MDL Number MFCD00159621,MFCD00238787
SMILES [O-][N+](=O)C1=CC=NN1
Synonym 3-nitro-1h-pyrazole,3-nitropyrazole,1h-pyrazole, 3-nitro,3-nitro-2h-pyrazole,nitropyrazole,pyrazole, 3-nitro,5-nitro-1h-pyrazol,djw 94,djw-94,5-nitropyrazole
IUPAC Name 5-nitro-1H-pyrazole
InChI Key MZRUFMBFIKGOAL-UHFFFAOYSA-N
Molecular Formula C3H3N3O2
1,037

5-Bromoindazole 97.0+%, TCI America™

CAS: 53857-57-1 Molecular Formula: C7H5BrN2 Molecular Weight (g/mol): 197.04 MDL Number: MFCD00839493,MFCD26227374 InChI Key: STVHMYNPQCLUNJ-UHFFFAOYSA-N Synonym: 5-bromoindazole,5-bromo-2h-indazole,1h-indazole, 5-bromo,5-bromo-1hindazole,chembl16425,5-brom-1h-indazol,5-bromoazaindole,5-bromo indazole,5-bromo-indazole PubChem CID: 761929 IUPAC Name: 5-bromo-1H-indazole SMILES: BrC1=CC=C2NN=CC2=C1

PubChem CID 761929
CAS 53857-57-1
Molecular Weight (g/mol) 197.04
MDL Number MFCD00839493,MFCD26227374
SMILES BrC1=CC=C2NN=CC2=C1
Synonym 5-bromoindazole,5-bromo-2h-indazole,1h-indazole, 5-bromo,5-bromo-1hindazole,chembl16425,5-brom-1h-indazol,5-bromoazaindole,5-bromo indazole,5-bromo-indazole
IUPAC Name 5-bromo-1H-indazole
InChI Key STVHMYNPQCLUNJ-UHFFFAOYSA-N
Molecular Formula C7H5BrN2
1,038

1H-1,2,3-Triazole 98.0+%, TCI America™

CAS: 288-36-8 Molecular Formula: C2H3N3 Molecular Weight (g/mol): 69.067 MDL Number: MFCD00014490 InChI Key: QWENRTYMTSOGBR-UHFFFAOYSA-N Synonym: 1h-1,2,3-triazole,1,2,3-triazole,2h-1,2,3-triazole,1,2,3-1h-triazole,triazole,triazol,osotriazole,v-triazole,1,2,3-triazol,1,2,3 triazole PubChem CID: 67516 ChEBI: CHEBI:35565 IUPAC Name: 2H-triazole SMILES: C1=NNN=C1

PubChem CID 67516
CAS 288-36-8
Molecular Weight (g/mol) 69.067
ChEBI CHEBI:35565
MDL Number MFCD00014490
SMILES C1=NNN=C1
Synonym 1h-1,2,3-triazole,1,2,3-triazole,2h-1,2,3-triazole,1,2,3-1h-triazole,triazole,triazol,osotriazole,v-triazole,1,2,3-triazol,1,2,3 triazole
IUPAC Name 2H-triazole
InChI Key QWENRTYMTSOGBR-UHFFFAOYSA-N
Molecular Formula C2H3N3
1,039

2-n-Octylbenzotriazole 98.0+%, TCI America™

CAS: 112642-69-0 Molecular Formula: C14H21N3 Molecular Weight (g/mol): 231.343 InChI Key: WESNTVKWORZVQQ-UHFFFAOYSA-N PubChem CID: 4371641 IUPAC Name: 2-octylbenzotriazole SMILES: CCCCCCCCN1N=C2C=CC=CC2=N1

PubChem CID 4371641
CAS 112642-69-0
Molecular Weight (g/mol) 231.343
SMILES CCCCCCCCN1N=C2C=CC=CC2=N1
IUPAC Name 2-octylbenzotriazole
InChI Key WESNTVKWORZVQQ-UHFFFAOYSA-N
Molecular Formula C14H21N3
1,040

1-Acetyl-1H-1,2,3-triazolo[4,5-b]pyridine 99.0+%, TCI America™

CAS: 107866-54-6 Molecular Formula: C7H6N4O Molecular Weight (g/mol): 162.152 MDL Number: MFCD00075383 InChI Key: SDYATKOQVBKTLQ-UHFFFAOYSA-N PubChem CID: 702889 IUPAC Name: 1-(triazolo[4,5-b]pyridin-1-yl)ethanone SMILES: CC(=O)N1C2=C(N=CC=C2)N=N1

PubChem CID 702889
CAS 107866-54-6
Molecular Weight (g/mol) 162.152
MDL Number MFCD00075383
SMILES CC(=O)N1C2=C(N=CC=C2)N=N1
IUPAC Name 1-(triazolo[4,5-b]pyridin-1-yl)ethanone
InChI Key SDYATKOQVBKTLQ-UHFFFAOYSA-N
Molecular Formula C7H6N4O
1,041

2-[5-(Trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine 98.0+%, TCI America™

CAS: 219508-27-7 Molecular Formula: C8H5F3N4 Molecular Weight (g/mol): 214.151 MDL Number: MFCD26403657 InChI Key: MOGTVLAYAVGOJK-UHFFFAOYSA-N Synonym: 3-(Trifluoromethyl)-5-(2-pyridyl)-1,2,4-triazole PubChem CID: 20807129 IUPAC Name: 2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine SMILES: C1=CC=NC(=C1)C2=NNC(=N2)C(F)(F)F

PubChem CID 20807129
CAS 219508-27-7
Molecular Weight (g/mol) 214.151
MDL Number MFCD26403657
SMILES C1=CC=NC(=C1)C2=NNC(=N2)C(F)(F)F
Synonym 3-(Trifluoromethyl)-5-(2-pyridyl)-1,2,4-triazole
IUPAC Name 2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine
InChI Key MOGTVLAYAVGOJK-UHFFFAOYSA-N
Molecular Formula C8H5F3N4
1,042

3-Amino-1,2,4-triazole-5-carboxylic Acid Hemihydrate 98.0+%, TCI America™

CAS: 3641-13-2 Molecular Formula: C3H4N4O2 Molecular Weight (g/mol): 128.09 MDL Number: MFCD00010620 MFCD00179325 MFCD00225624 InChI Key: MVRGLMCHDCMPKD-UHFFFAOYSA-N Synonym: 3-amino-1,2,4-triazole-5-carboxylic acid,5-amino-4h-1,2,4-triazole-3-carboxylic acid,5-amino-1h-1,2,4-triazole-3-carboxylic acid,1h-1,2,4-triazole-3-carboxylic acid, 5-amino,5-amino-1,2,4-triazole-3-carboxylic acid,s-triazole-3-carboxylic acid, 5-amino,5-amino-2h-1,2,4-triazole-3-carboxylic acid,5-amino-1h-1,2,4 triazole-3-carboxylic acid,5-amino-2h-1,2,4 triazole-3-carboxylic acid,1h-1,4-triazole-3-carboxylic acid, 5-amino PubChem CID: 77200 IUPAC Name: 3-amino-1H-1,2,4-triazole-5-carboxylic acid SMILES: NC1=NNC(=N1)C(O)=O

PubChem CID 77200
CAS 3641-13-2
Molecular Weight (g/mol) 128.09
MDL Number MFCD00010620 MFCD00179325 MFCD00225624
SMILES NC1=NNC(=N1)C(O)=O
Synonym 3-amino-1,2,4-triazole-5-carboxylic acid,5-amino-4h-1,2,4-triazole-3-carboxylic acid,5-amino-1h-1,2,4-triazole-3-carboxylic acid,1h-1,2,4-triazole-3-carboxylic acid, 5-amino,5-amino-1,2,4-triazole-3-carboxylic acid,s-triazole-3-carboxylic acid, 5-amino,5-amino-2h-1,2,4-triazole-3-carboxylic acid,5-amino-1h-1,2,4 triazole-3-carboxylic acid,5-amino-2h-1,2,4 triazole-3-carboxylic acid,1h-1,4-triazole-3-carboxylic acid, 5-amino
IUPAC Name 3-amino-1H-1,2,4-triazole-5-carboxylic acid
InChI Key MVRGLMCHDCMPKD-UHFFFAOYSA-N
Molecular Formula C3H4N4O2
1,043

3-(Trifluoromethyl)pyrazole 98.0+%, TCI America™

CAS: 20154-03-4 Molecular Formula: C4H3F3N2 Molecular Weight (g/mol): 136.077 MDL Number: MFCD00115018 InChI Key: PYXNITNKYBLBMW-UHFFFAOYSA-N Synonym: 3-trifluoromethyl pyrazole,3-trifluoromethyl-1h-pyrazole,5-trifluoromethyl-1h-pyrazole,3-trifluoromethylpyrazole,trifluoromethylpyrazole,1h-pyrazole, 3-trifluoromethyl,3-trifluoromethyl-2h-pyrazole,pubchem10164,pubchem10423 PubChem CID: 1807034 IUPAC Name: 5-(trifluoromethyl)-1H-pyrazole SMILES: C1=C(NN=C1)C(F)(F)F

PubChem CID 1807034
CAS 20154-03-4
Molecular Weight (g/mol) 136.077
MDL Number MFCD00115018
SMILES C1=C(NN=C1)C(F)(F)F
Synonym 3-trifluoromethyl pyrazole,3-trifluoromethyl-1h-pyrazole,5-trifluoromethyl-1h-pyrazole,3-trifluoromethylpyrazole,trifluoromethylpyrazole,1h-pyrazole, 3-trifluoromethyl,3-trifluoromethyl-2h-pyrazole,pubchem10164,pubchem10423
IUPAC Name 5-(trifluoromethyl)-1H-pyrazole
InChI Key PYXNITNKYBLBMW-UHFFFAOYSA-N
Molecular Formula C4H3F3N2
1,044

N,N'-Bis(tert-butoxycarbonyl)-1H-pyrazole-1-carboxamidine 98.0+%, TCI America™

CAS: 152120-54-2 Molecular Formula: C14H22N4O4 Molecular Weight (g/mol): 310.354 MDL Number: MFCD01075122 InChI Key: QFNFDHNZVTWZED-UHFFFAOYSA-N Synonym: n,n'-di-boc-1h-pyrazole-1-carboxamidine,bis-boc-pyrazolocarboxamidine,pyrazol boc 2,n,n-bis-boc-1-guanylpyrazole,n,n'-bis-boc-1-guanylpyrazol,n,n'-bis-boc-1-guanylpyrazole,n,n'-bisboc-pyrazole-1-carboximidamide,tert-butyl tert-butoxycarbonyl amino 1h-pyrazol-1-yl methylene carbamate,tert-butyl boc-amino 1h-pyrazol-1-yl methylene carbamate,1-n,n'-di-boc amidino pyrazole PubChem CID: 6383521 IUPAC Name: tert-butyl (NZ)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-pyrazol-1-ylmethylidene]carbamate SMILES: CC(C)(C)OC(=O)NC(=NC(=O)OC(C)(C)C)N1C=CC=N1

PubChem CID 6383521
CAS 152120-54-2
Molecular Weight (g/mol) 310.354
MDL Number MFCD01075122
SMILES CC(C)(C)OC(=O)NC(=NC(=O)OC(C)(C)C)N1C=CC=N1
Synonym n,n'-di-boc-1h-pyrazole-1-carboxamidine,bis-boc-pyrazolocarboxamidine,pyrazol boc 2,n,n-bis-boc-1-guanylpyrazole,n,n'-bis-boc-1-guanylpyrazol,n,n'-bis-boc-1-guanylpyrazole,n,n'-bisboc-pyrazole-1-carboximidamide,tert-butyl tert-butoxycarbonyl amino 1h-pyrazol-1-yl methylene carbamate,tert-butyl boc-amino 1h-pyrazol-1-yl methylene carbamate,1-n,n'-di-boc amidino pyrazole
IUPAC Name tert-butyl (NZ)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-pyrazol-1-ylmethylidene]carbamate
InChI Key QFNFDHNZVTWZED-UHFFFAOYSA-N
Molecular Formula C14H22N4O4
1,045

4-(2-Benzoxazolyl)-4'-(5-methyl-2-benzoxazolyl)stilbene 95.0+%, TCI America™

CAS: 5242-49-9 Molecular Formula: C29H20N2O2 Molecular Weight (g/mol): 428.491 InChI Key: SOTPOQQKAUOHRO-BQYQJAHWSA-N PubChem CID: 5761588 IUPAC Name: 2-[4-[(E)-2-[4-(1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-5-methyl-1,3-benzoxazole SMILES: CC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)C=CC4=CC=C(C=C4)C5=NC6=CC=CC=C6O5

PubChem CID 5761588
CAS 5242-49-9
Molecular Weight (g/mol) 428.491
SMILES CC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)C=CC4=CC=C(C=C4)C5=NC6=CC=CC=C6O5
IUPAC Name 2-[4-[(E)-2-[4-(1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-5-methyl-1,3-benzoxazole
InChI Key SOTPOQQKAUOHRO-BQYQJAHWSA-N
Molecular Formula C29H20N2O2
1,046

1,4-Bis[2-(5-phenyloxazolyl)]benzene 98.0+%, TCI America™

CAS: 1806-34-4 Molecular Formula: C24H16N2O2 Molecular Weight (g/mol): 364.404 MDL Number: MFCD00005309 InChI Key: MASVCBBIUQRUKL-UHFFFAOYSA-N Synonym: popop,1,4-bis 5-phenyloxazol-2-yl benzene,oxazole, 2,2'-1,4-phenylene bis 5-phenyl,p-bis 5-phenyloxazol-2-yl benzene,2,2'-p-phenylenebis 5-phenyloxazole,1,4-bis 5-phenyl-2-oxazolyl benzene,5-phenyl-2-4-5-phenyl-1,3-oxazol-2-yl phenyl-1,3-oxazole,1,4-di 5-phenyl-2-oxazolyl benzene,1,4-bis 2-5-phenyloxazolyl benzene,oxazole, 2,2'-p-phenylenebis 5-phenyl PubChem CID: 15732 ChEBI: CHEBI:52236 IUPAC Name: 5-phenyl-2-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]-1,3-oxazole SMILES: C1=CC=C(C=C1)C2=CN=C(O2)C3=CC=C(C=C3)C4=NC=C(O4)C5=CC=CC=C5

PubChem CID 15732
CAS 1806-34-4
Molecular Weight (g/mol) 364.404
ChEBI CHEBI:52236
MDL Number MFCD00005309
SMILES C1=CC=C(C=C1)C2=CN=C(O2)C3=CC=C(C=C3)C4=NC=C(O4)C5=CC=CC=C5
Synonym popop,1,4-bis 5-phenyloxazol-2-yl benzene,oxazole, 2,2'-1,4-phenylene bis 5-phenyl,p-bis 5-phenyloxazol-2-yl benzene,2,2'-p-phenylenebis 5-phenyloxazole,1,4-bis 5-phenyl-2-oxazolyl benzene,5-phenyl-2-4-5-phenyl-1,3-oxazol-2-yl phenyl-1,3-oxazole,1,4-di 5-phenyl-2-oxazolyl benzene,1,4-bis 2-5-phenyloxazolyl benzene,oxazole, 2,2'-p-phenylenebis 5-phenyl
IUPAC Name 5-phenyl-2-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]-1,3-oxazole
InChI Key MASVCBBIUQRUKL-UHFFFAOYSA-N
Molecular Formula C24H16N2O2
1,047

1-Ethyl-3-methylimidazolium Bis(trifluoromethanesulfonyl)imide 98.0+%, TCI America™

CAS: 174899-82-2 Molecular Formula: C8H11F6N3O4S2 Molecular Weight (g/mol): 391.303 MDL Number: MFCD03788927 InChI Key: LRESCJAINPKJTO-UHFFFAOYSA-N PubChem CID: 11731903 IUPAC Name: bis(trifluoromethylsulfonyl)azanide;1-ethyl-3-methylimidazol-3-ium SMILES: CCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

PubChem CID 11731903
CAS 174899-82-2
Molecular Weight (g/mol) 391.303
MDL Number MFCD03788927
SMILES CCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
IUPAC Name bis(trifluoromethylsulfonyl)azanide;1-ethyl-3-methylimidazol-3-ium
InChI Key LRESCJAINPKJTO-UHFFFAOYSA-N
Molecular Formula C8H11F6N3O4S2
1,048

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

CAS: 1546-79-8 Molecular Formula: C5H3F3N2O Molecular Weight (g/mol): 164.087 MDL Number: MFCD00014501 InChI Key: SINBGNJPYWNUQI-UHFFFAOYSA-N Synonym: 1-trifluoroacetyl imidazole,n-trifluoroacetylimidazole,1-trifluoroacetyl-1h-imidazole,1h-imidazole, 1-trifluoroacetyl,unii-8c6041ow3i,tfai,2,2,2-trifluoro-1-1h-imidazol-1-yl ethanone,n-trifluoroacetyl imidazole,2,2,2-trifluoro-1-imidazol-1-yl ethanone,2,2,2-trifluoro-1-1h-imidazol-1-yl ethan-1-one PubChem CID: 73767 IUPAC Name: 2,2,2-trifluoro-1-imidazol-1-ylethanone SMILES: C1=CN(C=N1)C(=O)C(F)(F)F

PubChem CID 73767
CAS 1546-79-8
Molecular Weight (g/mol) 164.087
MDL Number MFCD00014501
SMILES C1=CN(C=N1)C(=O)C(F)(F)F
Synonym 1-trifluoroacetyl imidazole,n-trifluoroacetylimidazole,1-trifluoroacetyl-1h-imidazole,1h-imidazole, 1-trifluoroacetyl,unii-8c6041ow3i,tfai,2,2,2-trifluoro-1-1h-imidazol-1-yl ethanone,n-trifluoroacetyl imidazole,2,2,2-trifluoro-1-imidazol-1-yl ethanone,2,2,2-trifluoro-1-1h-imidazol-1-yl ethan-1-one
IUPAC Name 2,2,2-trifluoro-1-imidazol-1-ylethanone
InChI Key SINBGNJPYWNUQI-UHFFFAOYSA-N
Molecular Formula C5H3F3N2O
1,049

4,5-Bis(hydroxymethyl)-2-phenylimidazole 95.0+%, TCI America™

CAS: 61698-32-6 Molecular Formula: C11H12N2O2 Molecular Weight (g/mol): 204.229 MDL Number: MFCD00047017 InChI Key: UUQQGGWZVKUCBD-UHFFFAOYSA-N PubChem CID: 109115 IUPAC Name: [4-(hydroxymethyl)-2-phenyl-1H-imidazol-5-yl]methanol SMILES: C1=CC=C(C=C1)C2=NC(=C(N2)CO)CO

PubChem CID 109115
CAS 61698-32-6
Molecular Weight (g/mol) 204.229
MDL Number MFCD00047017
SMILES C1=CC=C(C=C1)C2=NC(=C(N2)CO)CO
IUPAC Name [4-(hydroxymethyl)-2-phenyl-1H-imidazol-5-yl]methanol
InChI Key UUQQGGWZVKUCBD-UHFFFAOYSA-N
Molecular Formula C11H12N2O2
1,050

4,5-Dimethylthiazole 98.0+%, TCI America™

CAS: 3581-91-7 Molecular Formula: C5H7NS Molecular Weight (g/mol): 113.178 MDL Number: MFCD00005336 InChI Key: UWSONZCNXUSTKW-UHFFFAOYSA-N Synonym: 4,5-dimethylthiazole,thiazole, 4,5-dimethyl,4,5-dimethyl thiazole,4,5-dimethyl-thiazole,unii-u3rp5i088g,fema no. 3274,pubchem9938,acmc-209ijb,dimethylthiazole, 4,5,4-27-00-00986 beilstein handbook reference PubChem CID: 62510 IUPAC Name: 4,5-dimethyl-1,3-thiazole SMILES: CC1=C(SC=N1)C

PubChem CID 62510
CAS 3581-91-7
Molecular Weight (g/mol) 113.178
MDL Number MFCD00005336
SMILES CC1=C(SC=N1)C
Synonym 4,5-dimethylthiazole,thiazole, 4,5-dimethyl,4,5-dimethyl thiazole,4,5-dimethyl-thiazole,unii-u3rp5i088g,fema no. 3274,pubchem9938,acmc-209ijb,dimethylthiazole, 4,5,4-27-00-00986 beilstein handbook reference
IUPAC Name 4,5-dimethyl-1,3-thiazole
InChI Key UWSONZCNXUSTKW-UHFFFAOYSA-N
Molecular Formula C5H7NS