3-(3,4-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(4-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide;1-[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole

C105H71F8N31O8S — CID 162079501

About 3-(3,4-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(4-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide;1-[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole

3-(3,4-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(4-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide;1-[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 162079501) has the molecular formula C105H71F8N31O8S and a molecular weight of 2078.98 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(4-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide;1-[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 3-(3,4-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(4-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide;1-[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole
• PubChem CID: 162079501
• Molecular Formula: C105H71F8N31O8S
• Molecular Weight: 2078.98 g/mol
• Exact Mass: 2077.57
• IUPAC Name: 3-(3,4-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(4-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide;1-[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole
• SMILES: CN(C)Cc1cccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)c1.COCc1c(-c2nc(-c3cccc(S(N)(=O)=O)c3)no2)nnn1-c1ccccc1F.Fc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1.Fc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1F.Fc1ccccc1-n1nnc(-c2nc(-c3ccccc3)no2)c1-c1ccncc1
• InChI: InChI=1S/C24H20FN7O.C21H11F3N6O.C21H12F2N6O.C21H13FN6O.C18H15FN6O4S/c1-31(2)15-16-6-5-7-18(14-16)23-27-24(33-29-23)21-22(17-10-12-26-13-11-17)32(30-28-21)20-9-4-3-8-19(20)25;22-14-6-5-13(11-16(14)24)20-26-21(31-28-20)18-19(12-7-9-25-10-8-12)30(29-27-18)17-4-2-1-3-15(17)23;22-15-7-5-14(6-8-15)20-25-21(30-27-20)18-19(13-9-11-24-12-10-13)29(28-26-18)17-4-2-1-3-16(17)23;22-16-8-4-5-9-17(16)28-19(14-10-12-23-13-11-14)18(25-27-28)21-24-20(26-29-21)15-6-2-1-3-7-15;1-28-10-15-16(22-24-25(15)14-8-3-2-7-13(14)19)18-21-17(23-29-18)11-5-4-6-12(9-11)30(20,26)27/h3-14H,15H2,1-2H3;1-11H;1-12H;1-13H;2-9H,10H2,1H3,(H2,20,26,27)
• InChIKey: ZCDNBURRZASGOX-UHFFFAOYSA-N
• XLogP: 19.14
• TPSA: 472.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 38
• Rotatable Bonds: 24
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2078.98
LogP ≤ 5	19.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(4-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide;1-[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole?

The IUPAC name of 3-(3,4-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(4-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide;1-[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole (CID 162079501) is 3-(3,4-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(4-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide;1-[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole.

What is the SMILES notation for 3-(3,4-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(4-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide;1-[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole?

The canonical SMILES for 3-(3,4-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(4-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide;1-[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole is CN(C)Cc1cccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)c1.COCc1c(-c2nc(-c3cccc(S(N)(=O)=O)c3)no2)nnn1-c1ccccc1F.Fc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1.Fc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1F.Fc1ccccc1-n1nnc(-c2nc(-c3ccccc3)no2)c1-c1ccncc1.

What is the InChIKey of 3-(3,4-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(4-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide;1-[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole?

The InChIKey is ZCDNBURRZASGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN7O.C21H11F3N6O.C21H12F2N6O.C21H13FN6O.C18H15FN6O4S/c1-31(2)15-16-6-5-7-18(14-16)23-27-24(33-29-23)21-22(17-10-12-26-13-11-17)32(30-28-21)20-9-4-3-8-19(20)25;22-14-6-5-13(11-16(14)24)20-26-21(31-28-20)18-19(12-7-9-25-10-8-12)30(29-27-18)17-4-2-1-3-15(17)23;22-15-7-5-14(6-8-15)20-25-21(30-27-20)18-19(13-9-11-24-12-10-13)29(28-26-18)17-4-2-1-3-16(17)23;22-16-8-4-5-9-17(16)28-19(14-10-12-23-13-11-14)18(25-27-28)21-24-20(26-29-21)15-6-2-1-3-7-15;1-28-10-15-16(22-24-25(15)14-8-3-2-7-13(14)19)18-21-17(23-29-18)11-5-4-6-12(9-11)30(20,26)27/h3-14H,15H2,1-2H3;1-11H;1-12H;1-13H;2-9H,10H2,1H3,(H2,20,26,27).

What are the key properties of 3-(3,4-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(4-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide;1-[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole?

3-(3,4-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(4-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide;1-[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 2078.98 g/mol, XLogP of 19.14, 24 rotatable bonds, 1 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3,4-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(4-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide;1-[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 162079501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).