Oxadiazoles

Alfa Aesar™ 2,5-Diphenyl-1,3,4-oxadiazole, 97%

CAS: 725-12-2 Molecular Formula: C14H10N2O Molecular Weight (g/mol): 222.247 MDL Number: MFCD00003102 InChI Key: DCJKUXYSYJBBRD-UHFFFAOYSA-N Synonym: 1,3,4-oxadiazole, 2,5-diphenyl PubChem CID: 12888 IUPAC Name: 2,5-diphenyl-1,3,4-oxadiazole SMILES: C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=CC=C3

NBD-CO-Hz 95.0+%, TCI America™

CAS: 221263-97-4 Molecular Formula: C9H10N6O4 Molecular Weight (g/mol): 266.217 MDL Number: MFCD02093433 InChI Key: IDJGYEQXPMQJKF-UHFFFAOYSA-N Synonym: 4-(N-Hydrazinocarbonylmethyl-N-methylamino)-7-nitrobenzofurazan, 4-(N-Hydrazinocarbonylmethyl-N-methylamino)-7-nitro-2,1,3-benzoxadiazole PubChem CID: 3428975 IUPAC Name: 2-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]acetohydrazide SMILES: CN(CC(=O)NN)C1=CC=C(C2=NON=C12)[N+](=O)[O-]

GSK 269962, Tocris Bioscience™ Available on GSA/VA Contract for Federal Government customers only.

CAS: 850664-21-0 Molecular Formula: C29H30N8O5 Molecular Weight (g/mol): 570.61 InChI Key: YOVNFNXUCOWYSG-UHFFFAOYSA-N Synonym: aminofurazanyl-azabenzimidazole 6n PubChem CID: 16095342 IUPAC Name: N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-(2-morpholin-4-ylethoxy)benzamide SMILES: CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6

SB 747651A dihydrochloride, Tocris Bioscience™ Available on GSA/VA Contract for Federal Government customers only.

CAS: 1781882-72-1 Molecular Formula: C16H24Cl2N8O Molecular Weight (g/mol): 415.323 InChI Key: NRRCQHARLPNLHJ-UHFFFAOYSA-N Synonym: 2-4-amino-1,2,5-oxadiazol-3-yl-1-ethyl-n-4-piperidinyl-1h-imidazo 4,5-c pyridine-7-methanamine dihydrochloride PubChem CID: 90488958 IUPAC Name: 4-[1-ethyl-7-[(piperidin-4-ylamino)methyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine;dihydrochloride SMILES: CCN1C2=C(C=NC=C2CNC3CCNCC3)N=C1C4=NON=C4N.Cl.Cl

GSK 690693, Tocris Bioscience™

CAS: 937174-76-0 Molecular Formula: C21H27N7O3 Molecular Weight (g/mol): 425.493 InChI Key: KGPGFQWBCSZGEL-ZDUSSCGKSA-N Synonym: 4-2-4-amino-1,2,5-oxadiazol-3-yl-1-ethyl-7-3s-3-piperidinylmethoxy-1h-imidazo 4,5-c pyridin-4-yl-2-methyl-3-butyn-2-ol PubChem CID: 16725726 IUPAC Name: 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[[(3S)-piperidin-3-yl]methoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol SMILES: CCN1C2=C(C(=NC=C2OCC3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N

Alfa Aesar™ 5-Phenyl-1,3,4-oxadiazole-2-thiol, 98%

CAS: 3004-42-0 Molecular Formula: C8H6N2OS Molecular Weight (g/mol): 178.209 MDL Number: MFCD00030467 InChI Key: FOHWXVBZGSVUGO-UHFFFAOYSA-N Synonym: 1,3,4-oxadiazole-2 3h-thione, 5-phenyl PubChem CID: 735254 IUPAC Name: 5-phenyl-3H-1,3,4-oxadiazole-2-thione SMILES: C1=CC=C(C=C1)C2=NNC(=S)O2

3-(Chloromethyl)-1,2,4-oxadiazole, Technical Grade, Maybridge

CAS: 51791-12-9 Molecular Formula: C3H3ClN2O Molecular Weight (g/mol): 118.52 InChI Key: YSNKGJCEHOJIDK-UHFFFAOYSA-N Synonym: 1,2,4-oxadiazole, 3-chloromethyl PubChem CID: 2735765 IUPAC Name: 3-(chloromethyl)-1,2,4-oxadiazole SMILES: C1=NC(=NO1)CCl

Alfa Aesar™ 5-(4-Pyridyl)-1,3,4-oxadiazole-2-thiol, 97%

CAS: 15264-63-8 Molecular Formula: C7H5N3OS Molecular Weight (g/mol): 179.197 MDL Number: MFCD00215200 InChI Key: TXCXZVFDWQYTIC-UHFFFAOYSA-N Synonym: 1,3,4-oxadiazole-2 3h-thione,5-4-pyridinyl PubChem CID: 774383 IUPAC Name: 5-pyridin-4-yl-3H-1,3,4-oxadiazole-2-thione SMILES: C1=CN=CC=C1C2=NNC(=S)O2

1H-[1,2,4]Oxadiazolo[4,3-a]-quinoxalin-1-one, 99+%, Alfa Aesar™

CAS: 41443-28-1 Molecular Formula: C9H5N3O2 Molecular Weight (g/mol): 187.158 MDL Number: MFCD00792620 InChI Key: LZMHWZHOZLVYDL-UHFFFAOYSA-N Synonym: 1,2,4 oxadiazolo 4,3-a quinoxalin-1-one PubChem CID: 1456 IUPAC Name: [1,2,4]oxadiazolo[4,3-a]quinoxalin-1-one SMILES: C1=CC=C2C(=C1)N=CC3=NOC(=O)N23

Alfa Aesar™ 2-(4-Bromophenyl)-5-(1-naphthyl)-1,3,4-oxadiazole, 99%

CAS: 68047-37-0 Molecular Formula: C18H11BrN2O Molecular Weight (g/mol): 351.203 MDL Number: MFCD00050980 InChI Key: VZEIYIPOCFGTPV-UHFFFAOYSA-N Synonym: 1,3,4-oxadiazole, 2-4-bromophenyl-5-1-naphthalenyl PubChem CID: 631794 IUPAC Name: 2-(4-bromophenyl)-5-naphthalen-1-yl-1,3,4-oxadiazole SMILES: C1=CC=C2C(=C1)C=CC=C2C3=NN=C(O3)C4=CC=C(C=C4)Br

Alfa Aesar™ 5-Methyl-3-(4-pyridyl)-1,2,4-oxadiazole, 97%

CAS: 10350-70-6 Molecular Formula: C8H7N3O Molecular Weight (g/mol): 161.164 MDL Number: MFCD00464110 InChI Key: JZIKSOZOBQKFEX-UHFFFAOYSA-N Synonym: 4-5-methyl-1,2,4-oxadiazol-3-yl pyridine PubChem CID: 2771672 IUPAC Name: 5-methyl-3-pyridin-4-yl-1,2,4-oxadiazole SMILES: CC1=NC(=NO1)C2=CC=NC=C2

2-Chloromethyl-5-(4-methoxyphenyl)-1,3,4-oxadiazole, 98%, ACROS Organics™

CAS: 24023-71-0 Molecular Formula: C10H9ClN2O2 Molecular Weight (g/mol): 224.65 MDL Number: MFCD01230030 InChI Key: GEHIXSKXGCIKJJ-UHFFFAOYSA-N Synonym: 1,3,4-oxadiazole, 2-chloromethyl-5-4-methoxyphenyl PubChem CID: 2734194 IUPAC Name: 2-(chloromethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole SMILES: COC1=CC=C(C=C1)C2=NN=C(O2)CCl

Alfa Aesar™ 3-Benzyl-5-chloromethyl-1,2,4-oxadiazole, 97%

CAS: 51802-77-8 Molecular Formula: C10H9ClN2O Molecular Weight (g/mol): 208.645 MDL Number: MFCD08273449 InChI Key: RUERNNLQCZMFKW-UHFFFAOYSA-N Synonym: 1,2,4-oxadiazole, 5-chloromethyl-3-phenylmethyl PubChem CID: 8027132 IUPAC Name: 3-benzyl-5-(chloromethyl)-1,2,4-oxadiazole SMILES: C1=CC=C(C=C1)CC2=NOC(=N2)CCl

ODQ, 98%, ACROS Organics™

CAS: 41443-28-1 Molecular Formula: C9H5N3O2 Molecular Weight (g/mol): 187.2 MDL Number: MFCD00792620 InChI Key: LZMHWZHOZLVYDL-UHFFFAOYSA-N Synonym: 1,2,4 oxadiazolo 4,3-a quinoxalin-1-one PubChem CID: 1456 IUPAC Name: [1,2,4]oxadiazolo[4,3-a]quinoxalin-1-one SMILES: C1=CC=C2C(=C1)N=CC3=NOC(=O)N23

1,2,5-Oxadiazole-3-carboxylic acid, ≥97%, Maybridge

CAS: 88598-08-7 Molecular Formula: C3H2N2O3 Molecular Weight (g/mol): 114.06 MDL Number: MFCD00604386 InChI Key: JBLHCUQCDKBPGY-UHFFFAOYSA-N Synonym: 1,2,5-oxadiazole, oxd4 PubChem CID: 1415524 IUPAC Name: 1,2,5-oxadiazole-3-carboxylic acid SMILES: C1=NON=C1C(=O)O

Alfa Aesar™ 2,5-Bis(1-naphthyl)-1,3,4-oxadiazole, 99%

CAS: 905-62-4 Molecular Formula: C22H14N2O Molecular Weight (g/mol): 322.367 MDL Number: MFCD00045582 InChI Key: MUNFOTHAFHGRIM-UHFFFAOYSA-N Synonym: 2,5-bis 1-naphthyl-1,3,4-oxadiazole PubChem CID: 70182 IUPAC Name: 2,5-dinaphthalen-1-yl-1,3,4-oxadiazole SMILES: C1=CC=C2C(=C1)C=CC=C2C3=NN=C(O3)C4=CC=CC5=CC=CC=C54

Alfa Aesar™ 2,5-Bis(4-nitrophenyl)-1,3,4-oxadiazole, 97%

CAS: 1044-49-1 Molecular Formula: C14H8N4O5 Molecular Weight (g/mol): 312.241 MDL Number: MFCD00173659 InChI Key: NXVIYWNQRSLRGX-UHFFFAOYSA-N Synonym: 0-27-00-00592 beilstein handbook reference PubChem CID: 13971 IUPAC Name: 2,5-bis(4-nitrophenyl)-1,3,4-oxadiazole SMILES: C1=CC(=CC=C1C2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

5-Cyclopropyl-1,2,4-oxadiazol-3-amine, 97%, Acros Organics™

CAS: 868696-42-8 Molecular Formula: C5H7N3O Molecular Weight (g/mol): 125.131 InChI Key: OHSZRALIDGBNES-UHFFFAOYSA-N Synonym: 1,2,4-oxadiazol-3-amine, 5-cyclopropyl PubChem CID: 51072255 IUPAC Name: 5-cyclopropyl-1,2,4-oxadiazol-3-amine SMILES: C1CC1C2=NC(=NO2)N

Alfa Aesar™ 2,5-Bis(4-biphenylyl)-1,3,4-oxadiazole, 99%

CAS: 2043-06-3 Molecular Formula: C26H18N2O Molecular Weight (g/mol): 374.44 MDL Number: MFCD00042666 InChI Key: IVVYVRLKDGGUEL-UHFFFAOYSA-N Synonym: 2,5-bis 1,1'-biphenyl-4-yl-1,3,4-oxadiazole PubChem CID: 96840 IUPAC Name: 2,5-bis(4-phenylphenyl)-1,3,4-oxadiazole SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN=C(O3)C4=CC=C(C=C4)C5=CC=CC=C5

5-(Chloromethyl)-3-(2-thienyl)-1,2,4-oxadiazole, ≥95%, Maybridge

CAS: 63417-81-2 Molecular Formula: C7H5ClN2OS Molecular Weight (g/mol): 200.64 MDL Number: MFCD03407322 InChI Key: YOUDLOUFERNGRO-UHFFFAOYSA-N Synonym: 1,2,4-oxadiazole,5-chloromethyl-3-2-thienyl PubChem CID: 736830 IUPAC Name: 5-(chloromethyl)-3-thiophen-2-yl-1,2,4-oxadiazole SMILES: C1=CSC(=C1)C2=NOC(=N2)CCl

2-(Chloromethyl)-5-phenyl-1,3,4-oxadiazole, 97%, ACROS Organics™

CAS: 33575-83-6 Molecular Formula: C9H7ClN2O Molecular Weight (g/mol): 194.618 InChI Key: AGLNTFQAHIRTFA-UHFFFAOYSA-N Synonym: 1,3,4-oxadiazole, 2-chloromethyl-5-phenyl PubChem CID: 314941 IUPAC Name: 2-(chloromethyl)-5-phenyl-1,3,4-oxadiazole SMILES: C1=CC=C(C=C1)C2=NN=C(O2)CCl

Alfa Aesar™ 5-(o-Tolyl)-1,3,4-oxadiazole-2-thiol, 96%

CAS: 2503-66-4 Molecular Formula: C9H8N2OS Molecular Weight (g/mol): 192.236 MDL Number: MFCD00992514 InChI Key: HNFIJWNVPWXSOL-UHFFFAOYSA-N Synonym: 1,3,4-oxadiazole-2 3h-thione,5-2-methylphenyl PubChem CID: 774385 IUPAC Name: 5-(2-methylphenyl)-3H-1,3,4-oxadiazole-2-thione SMILES: CC1=CC=CC=C1C2=NNC(=S)O2

3-(chloromethyl)-5-(3-thienyl)-1,2,4-oxadiazole, Maybridge

CAS: 184970-24-9 Molecular Formula: C7H5ClN2OS Molecular Weight (g/mol): 200.64 InChI Key: KHJYOJVUQYWASE-UHFFFAOYSA-N Synonym: 1,2,4-oxadiazole,3-chloromethyl-5-3-thienyl PubChem CID: 2797043 IUPAC Name: 3-(chloromethyl)-5-thiophen-3-yl-1,2,4-oxadiazole SMILES: C1=CSC=C1C2=NC(=NO2)CCl

Raltegravir potassium salt, Acros Organics™

CAS: 871038-72-1 Molecular Formula: C20H20FKN6O5 Molecular Weight (g/mol): 482.514 InChI Key: IFUKBHBISRAZTF-UHFFFAOYSA-M Synonym: isentress tn PubChem CID: 23668479 IUPAC Name: potassium;4-[(4-fluorophenyl)methylcarbamoyl]-1-methyl-2-[2-[(5-methyl-1,3,4-oxadiazole-2-carbonyl)amino]propan-2-yl]-6-oxopyrimidin-5-olate SMILES: CC1=NN=C(O1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)[O-])C(=O)NCC3=CC=C(C=C3)F.[K+]

Alfa Aesar™ 5-Chloromethyl-3-(2-thienylmethyl)-1,2,4-oxadiazole, 97%

CAS: 1249554-79-7 Molecular Formula: C8H7ClN2OS Molecular Weight (g/mol): 214.667 MDL Number: MFCD16779381 InChI Key: GTOAVBZDTOHAGL-UHFFFAOYSA-N Synonym: 5-chloromethyl-3-2-thienylmethyl-1,2,4-oxadiazole PubChem CID: 62502000 IUPAC Name: 5-(chloromethyl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole SMILES: C1=CSC(=C1)CC2=NOC(=N2)CCl

2-[4-(1,3,4-Oxadiazol-2-yl)phenoxy]acetamidoxime, 97%, Alfa Aesar™

CAS: 258521-20-9 Molecular Formula: C10H10N4O3 Molecular Weight (g/mol): 234.215 MDL Number: MFCD01764763 InChI Key: RNDSGEINHPCNQK-UHFFFAOYSA-N Synonym: 1-hydroxyimino-2-4-1,3,4-oxadiazol-2-yl phenoxy ethylamine PubChem CID: 57376339 IUPAC Name: N'-hydroxy-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanimidamide SMILES: C1=CC(=CC=C1C2=NN=CO2)OCC(=NO)N

Alfa Aesar™ 4-(5-Methyl-1,3,4-oxadiazol-2-yl)benzeneboronic acid, 98%

CAS: 913835-70-8 Molecular Formula: C9H9BN2O3 Molecular Weight (g/mol): 203.992 MDL Number: MFCD08436062 InChI Key: SPSKFVHUUJWUPB-UHFFFAOYSA-N Synonym: 2-4-boronophenyl-5-methyl-1,3,4-oxadiazole PubChem CID: 44119343 IUPAC Name: [4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid SMILES: B(C1=CC=C(C=C1)C2=NN=C(O2)C)(O)O

1H-[1,2,4]Oxadiazolo[4,3-a]quinoxalin-1-one 95.0+%, TCI America™

CAS: 41443-28-1 Molecular Formula: C9H5N3O2 Molecular Weight (g/mol): 187.158 MDL Number: MFCD00792620 InChI Key: LZMHWZHOZLVYDL-UHFFFAOYSA-N Synonym: 1,2,4 oxadiazolo 4,3-a quinoxalin-1-one PubChem CID: 1456 IUPAC Name: [1,2,4]oxadiazolo[4,3-a]quinoxalin-1-one SMILES: C1=CC=C2C(=C1)N=CC3=NOC(=O)N23

2,2′-Carbonylbis(3,5-dioxo-4-methyl-1,2,4-oxadiazolidine) 98.0+%, TCI America™

CAS: 115491-90-2 Molecular Formula: C7H6N4O7 Molecular Weight (g/mol): 258.146 MDL Number: MFCD00191328 InChI Key: IOMAUIUYBQXXKP-UHFFFAOYSA-N PubChem CID: 588531 IUPAC Name: 4-methyl-2-(4-methyl-3,5-dioxo-1,2,4-oxadiazolidine-2-carbonyl)-1,2,4-oxadiazolidine-3,5-dione SMILES: CN1C(=O)N(OC1=O)C(=O)N2C(=O)N(C(=O)O2)C

Potassium 5-Methyl-1,3,4-oxadiazole-2-carboxylate 98.0+%, TCI America™

CAS: 888504-28-7 Molecular Formula: C4H3KN2O3 Molecular Weight (g/mol): 166.177 MDL Number: MFCD08060085 InChI Key: BRHMYHXNUGVBCU-UHFFFAOYSA-M Synonym: 5-Methyl-1,3,4-oxadiazole-2-carboxylic Acid Potassium Salt PubChem CID: 24820502 IUPAC Name: potassium;5-methyl-1,3,4-oxadiazole-2-carboxylate SMILES: CC1=NN=C(O1)C(=O)[O-].[K+]

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