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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 (3,834)
Thiazoles (3,195)
Pyrazoles (1,591)
Oxazoles (831)
Triazoles (616)
Oxadiazoles (290)
Isoxazoles (240)
Thiadiazoles (83)
Dithiazoles (4)

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616 – 630 of 9,465 results
616
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1-Benzylimidazole, 98+%

CAS: 4238-71-5 Molecular Formula: C10H10N2 Molecular Weight (g/mol): 158.20 MDL Number: MFCD00005296 InChI Key: KKKDZZRICRFGSD-UHFFFAOYSA-N Synonym: 1-benzyl-1h-imidazole,n-benzylimidazole,imidazole, 1-benzyl,benzylimidazole,1h-imidazole, 1-phenylmethyl,1-benzyl imidazole,ccris 5821,chembl14192,1bn,1-benzylimdazole PubChem CID: 77918 IUPAC Name: 1-benzylimidazole SMILES: C(N1C=CN=C1)C1=CC=CC=C1

PubChem CID 77918
CAS 4238-71-5
Molecular Weight (g/mol) 158.20
MDL Number MFCD00005296
SMILES C(N1C=CN=C1)C1=CC=CC=C1
Synonym 1-benzyl-1h-imidazole,n-benzylimidazole,imidazole, 1-benzyl,benzylimidazole,1h-imidazole, 1-phenylmethyl,1-benzyl imidazole,ccris 5821,chembl14192,1bn,1-benzylimdazole
IUPAC Name 1-benzylimidazole
InChI Key KKKDZZRICRFGSD-UHFFFAOYSA-N
Molecular Formula C10H10N2
617
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Indazole, 96%

CAS: 271-44-3 Molecular Formula: C7H6N2 Molecular Weight (g/mol): 118.14 InChI Key: BAXOFTOLAUCFNW-UHFFFAOYSA-N Synonym: indazole,1h-benzopyrazole,2-azaindole,isoindazole,2h-indazole,1,2-diazaindene,1,2-benzodiazole,1h-indazol,benzopyrazole,1,2-benzopyrazole PubChem CID: 9221 ChEBI: CHEBI:36669 IUPAC Name: 1H-indazole SMILES: C1=CC=C2C(=C1)C=NN2

PubChem CID 9221
CAS 271-44-3
Molecular Weight (g/mol) 118.14
ChEBI CHEBI:36669
SMILES C1=CC=C2C(=C1)C=NN2
Synonym indazole,1h-benzopyrazole,2-azaindole,isoindazole,2h-indazole,1,2-diazaindene,1,2-benzodiazole,1h-indazol,benzopyrazole,1,2-benzopyrazole
IUPAC Name 1H-indazole
InChI Key BAXOFTOLAUCFNW-UHFFFAOYSA-N
Molecular Formula C7H6N2
618

4-(2-Methyl-1,3-thiazol-4-yl)benzoyl chloride, Tech., Thermo Scientific™

CAS: 857283-93-3 Molecular Formula: C11H8ClNOS Molecular Weight (g/mol): 237.701 MDL Number: MFCD08271902 InChI Key: WJQGMUPBMHWAEX-UHFFFAOYSA-N Synonym: 4-2-methyl-1,3-thiazol-4-yl benzoyl chloride,benzoyl chloride,4-2-methyl-4-thiazolyl,4-2-methylthiazol-4-yl benzoyl chloride PubChem CID: 7537526 IUPAC Name: 4-(2-methyl-1,3-thiazol-4-yl)benzoyl chloride SMILES: CC1=NC(=CS1)C2=CC=C(C=C2)C(=O)Cl

PubChem CID 7537526
CAS 857283-93-3
Molecular Weight (g/mol) 237.701
MDL Number MFCD08271902
SMILES CC1=NC(=CS1)C2=CC=C(C=C2)C(=O)Cl
Synonym 4-2-methyl-1,3-thiazol-4-yl benzoyl chloride,benzoyl chloride,4-2-methyl-4-thiazolyl,4-2-methylthiazol-4-yl benzoyl chloride
IUPAC Name 4-(2-methyl-1,3-thiazol-4-yl)benzoyl chloride
InChI Key WJQGMUPBMHWAEX-UHFFFAOYSA-N
Molecular Formula C11H8ClNOS
619

2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbaldehyde, 97%, Thermo Scientific™

CAS: 1034566-13-6 Molecular Formula: C6H4F3NOS Molecular Weight (g/mol): 195.159 MDL Number: MFCD12198128 InChI Key: FBQFBBGXQZDOQV-UHFFFAOYSA-N Synonym: 2-methyl-4-trifluoromethyl-1,3-thiazole-5-carbaldehyde,5-formyl-2-methyl-4-trifluoromethyl-1,3-thiazole PubChem CID: 43811060 IUPAC Name: 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbaldehyde SMILES: CC1=NC(=C(S1)C=O)C(F)(F)F

PubChem CID 43811060
CAS 1034566-13-6
Molecular Weight (g/mol) 195.159
MDL Number MFCD12198128
SMILES CC1=NC(=C(S1)C=O)C(F)(F)F
Synonym 2-methyl-4-trifluoromethyl-1,3-thiazole-5-carbaldehyde,5-formyl-2-methyl-4-trifluoromethyl-1,3-thiazole
IUPAC Name 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbaldehyde
InChI Key FBQFBBGXQZDOQV-UHFFFAOYSA-N
Molecular Formula C6H4F3NOS
620

3-Methylisoxazole-5-carboxylic acid, 97%, Thermo Scientific™

CAS: 4857-42-5 Molecular Formula: C5H5NO3 Molecular Weight (g/mol): 127.099 MDL Number: MFCD00464222 InChI Key: HXIYCKAAQPHZBM-UHFFFAOYSA-N Synonym: 3-methylisoxazole-5-carboxylic acid,3-methyl-5-isoxazolecarboxylic acid,5-isoxazolecarboxylic acid, 3-methyl,3-methyl-isoxazole-5-carboxylic acid,5-carboxy-3-methylisoxazole,5-isoxazolecarboxylicacid, 3-methyl,3-methylisoxazole-5-carboxylicacid,acmc-1aruu,3-methyl-5-carboxyisoxazole,aronis24519 PubChem CID: 853085 IUPAC Name: 3-methyl-1,2-oxazole-5-carboxylic acid SMILES: CC1=NOC(=C1)C(=O)O

PubChem CID 853085
CAS 4857-42-5
Molecular Weight (g/mol) 127.099
MDL Number MFCD00464222
SMILES CC1=NOC(=C1)C(=O)O
Synonym 3-methylisoxazole-5-carboxylic acid,3-methyl-5-isoxazolecarboxylic acid,5-isoxazolecarboxylic acid, 3-methyl,3-methyl-isoxazole-5-carboxylic acid,5-carboxy-3-methylisoxazole,5-isoxazolecarboxylicacid, 3-methyl,3-methylisoxazole-5-carboxylicacid,acmc-1aruu,3-methyl-5-carboxyisoxazole,aronis24519
IUPAC Name 3-methyl-1,2-oxazole-5-carboxylic acid
InChI Key HXIYCKAAQPHZBM-UHFFFAOYSA-N
Molecular Formula C5H5NO3
621

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

CAS: 91137-55-2 Molecular Formula: C11H9NO3 Molecular Weight (g/mol): 203.197 MDL Number: MFCD01566859 InChI Key: HRFYZRHGBICKAG-UHFFFAOYSA-N Synonym: 4-methyl-2-phenyloxazole-5-carboxylic acid,5-oxazolecarboxylicacid, 4-methyl-2-phenyl,5-oxazolecarboxylic acid, 4-methyl-2-phenyl PubChem CID: 4176428 IUPAC Name: 4-methyl-2-phenyl-1,3-oxazole-5-carboxylic acid SMILES: CC1=C(OC(=N1)C2=CC=CC=C2)C(=O)O

PubChem CID 4176428
CAS 91137-55-2
Molecular Weight (g/mol) 203.197
MDL Number MFCD01566859
SMILES CC1=C(OC(=N1)C2=CC=CC=C2)C(=O)O
Synonym 4-methyl-2-phenyloxazole-5-carboxylic acid,5-oxazolecarboxylicacid, 4-methyl-2-phenyl,5-oxazolecarboxylic acid, 4-methyl-2-phenyl
IUPAC Name 4-methyl-2-phenyl-1,3-oxazole-5-carboxylic acid
InChI Key HRFYZRHGBICKAG-UHFFFAOYSA-N
Molecular Formula C11H9NO3
622

Ornidazole, 99%

CAS: 16773-42-5 Molecular Formula: C7H10ClN3O3 Molecular Weight (g/mol): 219.625 MDL Number: MFCD00057960 InChI Key: IPWKIXLWTCNBKN-UHFFFAOYSA-N Synonym: ornidazole,madelen,tiberal,ornidazolum,1-3-chloro-2-hydroxypropyl-2-methyl-5-nitroimidazole,ornidazol,1-chloro-3-2-methyl-5-nitro-1h-imidazol-1-yl propan-2-ol,1-chloro-3-2-methyl-5-nitro-1h-imidazol-1-yl-2-propanol,ornidal,1-2-hydroxy-3-chloropropyl-2-methyl-5-nitroimidazole PubChem CID: 28061 ChEBI: CHEBI:75176 IUPAC Name: 1-chloro-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol SMILES: CC1=NC=C(N1CC(CCl)O)[N+](=O)[O-]

PubChem CID 28061
CAS 16773-42-5
Molecular Weight (g/mol) 219.625
ChEBI CHEBI:75176
MDL Number MFCD00057960
SMILES CC1=NC=C(N1CC(CCl)O)[N+](=O)[O-]
Synonym ornidazole,madelen,tiberal,ornidazolum,1-3-chloro-2-hydroxypropyl-2-methyl-5-nitroimidazole,ornidazol,1-chloro-3-2-methyl-5-nitro-1h-imidazol-1-yl propan-2-ol,1-chloro-3-2-methyl-5-nitro-1h-imidazol-1-yl-2-propanol,ornidal,1-2-hydroxy-3-chloropropyl-2-methyl-5-nitroimidazole
IUPAC Name 1-chloro-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol
InChI Key IPWKIXLWTCNBKN-UHFFFAOYSA-N
Molecular Formula C7H10ClN3O3
623
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1-Methyl-1H-indazole-4-boronic acid pinacol ester, 97%, Thermo Scientific™

CAS: 885698-94-2 Molecular Formula: C14H19BN2O2 Molecular Weight (g/mol): 258.13 MDL Number: MFCD10700158 InChI Key: OZHFBNULPUBRJF-UHFFFAOYSA-N Synonym: 1-methyl-1h-indazole-4-boronic acid pinacol ester,1-methyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-indazole,1-methylindazole-4-boronic acid pinacol ester,1-methyl-4-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-indazole,1-methyl-1h-indazole-4-boronic acid, pinacol ester,1-methyl-4-tetramethyl-1,3,2-dioxaborolan-2-yl indazole,1-methyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl indazole,1-methyl-4-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-1h-indazole,1h-indazole, 1-methyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl PubChem CID: 45480187 IUPAC Name: 1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole SMILES: CN1N=CC2=C(C=CC=C12)B1OC(C)(C)C(C)(C)O1

PubChem CID 45480187
CAS 885698-94-2
Molecular Weight (g/mol) 258.13
MDL Number MFCD10700158
SMILES CN1N=CC2=C(C=CC=C12)B1OC(C)(C)C(C)(C)O1
Synonym 1-methyl-1h-indazole-4-boronic acid pinacol ester,1-methyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-indazole,1-methylindazole-4-boronic acid pinacol ester,1-methyl-4-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-indazole,1-methyl-1h-indazole-4-boronic acid, pinacol ester,1-methyl-4-tetramethyl-1,3,2-dioxaborolan-2-yl indazole,1-methyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl indazole,1-methyl-4-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-1h-indazole,1h-indazole, 1-methyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl
IUPAC Name 1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
InChI Key OZHFBNULPUBRJF-UHFFFAOYSA-N
Molecular Formula C14H19BN2O2
624
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N-Butylimidazole, 98%

CAS: 4316-42-1 Molecular Formula: C7H12N2 Molecular Weight (g/mol): 124.19 MDL Number: MFCD00042753 InChI Key: MCMFEZDRQOJKMN-UHFFFAOYSA-N Synonym: 1-butyl-1h-imidazole,1h-imidazole, 1-butyl,n-butylimidazole,1-n-butylimidazole,n-n-butyl imidazole,1-n-butyl imidazole,1-buthylimidazole,n-n-butylimidazole,imidazole, 1-butyl PubChem CID: 61347 IUPAC Name: 1-butyl-1H-imidazole SMILES: CCCCN1C=CN=C1

PubChem CID 61347
CAS 4316-42-1
Molecular Weight (g/mol) 124.19
MDL Number MFCD00042753
SMILES CCCCN1C=CN=C1
Synonym 1-butyl-1h-imidazole,1h-imidazole, 1-butyl,n-butylimidazole,1-n-butylimidazole,n-n-butyl imidazole,1-n-butyl imidazole,1-buthylimidazole,n-n-butylimidazole,imidazole, 1-butyl
IUPAC Name 1-butyl-1H-imidazole
InChI Key MCMFEZDRQOJKMN-UHFFFAOYSA-N
Molecular Formula C7H12N2
625
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5-Bromo-1H-indazole, 97%

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
626
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1-Butyl-3-methylimidazolium hexafluorophosphate, 98+%

CAS: 174501-64-5 Molecular Formula: C8H15F6N2P Molecular Weight (g/mol): 284.19 MDL Number: MFCD03093295 InChI Key: IXQYBUDWDLYNMA-UHFFFAOYSA-N Synonym: 1-butyl-3-methylimidazolium hexafluorophosphate,1-butyl-3-methyl-1h-imidazol-3-ium hexafluorophosphate v,unii-zge3n4o8q9,1-butyl-3-methylimidazoliumhexafluorophosphate,1-n-butyl-3-methylimidazolium hexafluorophosphate,zge3n4o8q9,butylmethylimidazolium hexafluorophosphate,1-methyl-3-butylimidazolium hexafluorophosphate,bmim pf6,c4mim hexafluorophosphate PubChem CID: 2734174 SMILES: F[P-](F)(F)(F)(F)F.CCCCN1C=C[N+](C)=C1

PubChem CID 2734174
CAS 174501-64-5
Molecular Weight (g/mol) 284.19
MDL Number MFCD03093295
SMILES F[P-](F)(F)(F)(F)F.CCCCN1C=C[N+](C)=C1
Synonym 1-butyl-3-methylimidazolium hexafluorophosphate,1-butyl-3-methyl-1h-imidazol-3-ium hexafluorophosphate v,unii-zge3n4o8q9,1-butyl-3-methylimidazoliumhexafluorophosphate,1-n-butyl-3-methylimidazolium hexafluorophosphate,zge3n4o8q9,butylmethylimidazolium hexafluorophosphate,1-methyl-3-butylimidazolium hexafluorophosphate,bmim pf6,c4mim hexafluorophosphate
InChI Key IXQYBUDWDLYNMA-UHFFFAOYSA-N
Molecular Formula C8H15F6N2P
627
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2,5-Dibromothiazole, 97%

CAS: 4175-78-4 MDL Number: MFCD00016891 InChI Key: XIBIQFJKUZZLLX-UHFFFAOYSA-N Synonym: 2,5-dibromothiazole,thiazole, 2,5-dibromo,2,5-dibormothiazole,thiazole,5-dibromo,2,5-dibromo-thiazole,pubchem20949,acmc-209jlm,ksc237s3r,# PubChem CID: 312394 IUPAC Name: 2,5-dibromo-1,3-thiazole SMILES: C1=C(SC(=N1)Br)Br

PubChem CID 312394
CAS 4175-78-4
MDL Number MFCD00016891
SMILES C1=C(SC(=N1)Br)Br
Synonym 2,5-dibromothiazole,thiazole, 2,5-dibromo,2,5-dibormothiazole,thiazole,5-dibromo,2,5-dibromo-thiazole,pubchem20949,acmc-209jlm,ksc237s3r,#
IUPAC Name 2,5-dibromo-1,3-thiazole
InChI Key XIBIQFJKUZZLLX-UHFFFAOYSA-N
628
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2-Bromothiazole-4-carboxaldehyde, 97%

CAS: 5198-80-1 Molecular Formula: C4H2BrNOS Molecular Weight (g/mol): 192.03 MDL Number: MFCD04115726 InChI Key: JDUXMFGFGCJNGO-UHFFFAOYSA-N Synonym: 2-bromothiazole-4-carbaldehyde,2-bromo-4-formylthiazole,2-bromo-4-fomylthiazole,2-bromothiazole-4-carboxaldehyde,4-thiazolecarboxaldehyde, 2-bromo,2-bromo-1,3-thiazole-4-carboxaldehyde,2-bromo-4-formyl-1,3-thiazole,pubchem8915,acmc-209kx4,2-bromo-4-thiazole carboxaldehyde PubChem CID: 17750433 IUPAC Name: 2-bromo-1,3-thiazole-4-carbaldehyde SMILES: BrC1=CSC(C=O)=N1

PubChem CID 17750433
CAS 5198-80-1
Molecular Weight (g/mol) 192.03
MDL Number MFCD04115726
SMILES BrC1=CSC(C=O)=N1
Synonym 2-bromothiazole-4-carbaldehyde,2-bromo-4-formylthiazole,2-bromo-4-fomylthiazole,2-bromothiazole-4-carboxaldehyde,4-thiazolecarboxaldehyde, 2-bromo,2-bromo-1,3-thiazole-4-carboxaldehyde,2-bromo-4-formyl-1,3-thiazole,pubchem8915,acmc-209kx4,2-bromo-4-thiazole carboxaldehyde
IUPAC Name 2-bromo-1,3-thiazole-4-carbaldehyde
InChI Key JDUXMFGFGCJNGO-UHFFFAOYSA-N
Molecular Formula C4H2BrNOS
629
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6-Bromo-2-methyl-2H-indazole, 97%, Thermo Scientific Chemicals

CAS: 590417-95-1 Molecular Formula: C8H7BrN2 Molecular Weight (g/mol): 211.06 InChI Key: BVYFYDANLZQCPV-UHFFFAOYSA-N Synonym: 6-bromo-2-methyl-2h-indazole,2-methyl-6-bromoindazole,2h-indazole, 6-bromo-2-methyl,pubchem20671,acmc-209m9q,boron-mol bm788,6-bromo-2-methyl-indazole,2h-indazole,6-bromo-2-methyl PubChem CID: 22558624 IUPAC Name: 6-bromo-2-methylindazole SMILES: CN1C=C2C=CC(=CC2=N1)Br

PubChem CID 22558624
CAS 590417-95-1
Molecular Weight (g/mol) 211.06
SMILES CN1C=C2C=CC(=CC2=N1)Br
Synonym 6-bromo-2-methyl-2h-indazole,2-methyl-6-bromoindazole,2h-indazole, 6-bromo-2-methyl,pubchem20671,acmc-209m9q,boron-mol bm788,6-bromo-2-methyl-indazole,2h-indazole,6-bromo-2-methyl
IUPAC Name 6-bromo-2-methylindazole
InChI Key BVYFYDANLZQCPV-UHFFFAOYSA-N
Molecular Formula C8H7BrN2
630
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5-(Chloromethyl)-1,3-dimethyl-1H-pyrazole, 97%, Thermo Scientific Chemicals

CAS: 852227-86-2 Molecular Formula: C6H9ClN2 Molecular Weight (g/mol): 144.60 MDL Number: MFCD07368502 InChI Key: SGEZKPNUNBVVLB-UHFFFAOYSA-N PubChem CID: 4961270 IUPAC Name: 5-(chloromethyl)-1,3-dimethylpyrazole SMILES: CN1N=C(C)C=C1CCl

PubChem CID 4961270
CAS 852227-86-2
Molecular Weight (g/mol) 144.60
MDL Number MFCD07368502
SMILES CN1N=C(C)C=C1CCl
IUPAC Name 5-(chloromethyl)-1,3-dimethylpyrazole
InChI Key SGEZKPNUNBVVLB-UHFFFAOYSA-N
Molecular Formula C6H9ClN2