5-[5-benzyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxan-4-yl)triazol-4-yl]-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxan-4-yl)triazol-4-yl]-1,2,4-oxadiazole;4-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole

C115H86F9N31O8 — CID 157062968

About 5-[5-benzyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxan-4-yl)triazol-4-yl]-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxan-4-yl)triazol-4-yl]-1,2,4-oxadiazole;4-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole

5-[5-benzyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxan-4-yl)triazol-4-yl]-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxan-4-yl)triazol-4-yl]-1,2,4-oxadiazole;4-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 157062968) has the molecular formula C115H86F9N31O8 and a molecular weight of 2201.14 g/mol. Its IUPAC name is 5-[5-benzyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxan-4-yl)triazol-4-yl]-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxan-4-yl)triazol-4-yl]-1,2,4-oxadiazole;4-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-[5-benzyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxan-4-yl)triazol-4-yl]-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxan-4-yl)triazol-4-yl]-1,2,4-oxadiazole;4-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole
• PubChem CID: 157062968
• Molecular Formula: C115H86F9N31O8
• Molecular Weight: 2201.14 g/mol
• Exact Mass: 2199.71
• IUPAC Name: 5-[5-benzyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxan-4-yl)triazol-4-yl]-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxan-4-yl)triazol-4-yl]-1,2,4-oxadiazole;4-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole
• SMILES: Fc1ccc(F)c(-c2noc(-c3nnn(-c4ccccc4F)c3C3CCOCC3)n2)c1.Fc1ccccc1-c1noc(-c2nnn(-c3ccccc3F)c2C2CCOCC2)n1.Fc1ccccc1-c1noc(-c2nnn(-c3ccccc3F)c2Cc2ccccc2)n1.Fc1ccccc1-n1nnc(-c2nc(-c3cccc(CN4CCOCC4)c3)no2)c1-c1ccncc1.Fc1ccccc1-n1nnc(-c2nc(-c3cccc(Cn4cncn4)c3)no2)c1-c1ccncc1
• InChI: InChI=1S/C26H22FN7O2.C24H16FN9O.C23H15F2N5O.C21H16F3N5O2.C21H17F2N5O2/c27-21-6-1-2-7-22(21)34-24(19-8-10-28-11-9-19)23(30-32-34)26-29-25(31-36-26)20-5-3-4-18(16-20)17-33-12-14-35-15-13-33;25-19-6-1-2-7-20(19)34-22(17-8-10-26-11-9-17)21(30-32-34)24-29-23(31-35-24)18-5-3-4-16(12-18)13-33-15-27-14-28-33;24-17-11-5-4-10-16(17)22-26-23(31-28-22)21-20(14-15-8-2-1-3-9-15)30(29-27-21)19-13-7-6-12-18(19)25;22-13-5-6-15(23)14(11-13)20-25-21(31-27-20)18-19(12-7-9-30-10-8-12)29(28-26-18)17-4-2-1-3-16(17)24;22-15-6-2-1-5-14(15)20-24-21(30-26-20)18-19(13-9-11-29-12-10-13)28(27-25-18)17-8-4-3-7-16(17)23/h1-11,16H,12-15,17H2;1-12,14-15H,13H2;1-13H,14H2;1-6,11-12H,7-10H2;1-8,13H,9-12H2
• InChIKey: ABNQFVJVYYYNLM-UHFFFAOYSA-N
• XLogP: 21.15
• TPSA: 435.57 Ų
• H-Bond Acceptors: 39
• Rotatable Bonds: 25
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2201.14
LogP ≤ 5	21.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 5-[5-benzyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxan-4-yl)triazol-4-yl]-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxan-4-yl)triazol-4-yl]-1,2,4-oxadiazole;4-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole?

The IUPAC name of 5-[5-benzyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxan-4-yl)triazol-4-yl]-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxan-4-yl)triazol-4-yl]-1,2,4-oxadiazole;4-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole (CID 157062968) is 5-[5-benzyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxan-4-yl)triazol-4-yl]-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxan-4-yl)triazol-4-yl]-1,2,4-oxadiazole;4-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole.

What is the SMILES notation for 5-[5-benzyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxan-4-yl)triazol-4-yl]-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxan-4-yl)triazol-4-yl]-1,2,4-oxadiazole;4-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole?

The canonical SMILES for 5-[5-benzyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxan-4-yl)triazol-4-yl]-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxan-4-yl)triazol-4-yl]-1,2,4-oxadiazole;4-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole is Fc1ccc(F)c(-c2noc(-c3nnn(-c4ccccc4F)c3C3CCOCC3)n2)c1.Fc1ccccc1-c1noc(-c2nnn(-c3ccccc3F)c2C2CCOCC2)n1.Fc1ccccc1-c1noc(-c2nnn(-c3ccccc3F)c2Cc2ccccc2)n1.Fc1ccccc1-n1nnc(-c2nc(-c3cccc(CN4CCOCC4)c3)no2)c1-c1ccncc1.Fc1ccccc1-n1nnc(-c2nc(-c3cccc(Cn4cncn4)c3)no2)c1-c1ccncc1.

What is the InChIKey of 5-[5-benzyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxan-4-yl)triazol-4-yl]-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxan-4-yl)triazol-4-yl]-1,2,4-oxadiazole;4-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole?

The InChIKey is ABNQFVJVYYYNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN7O2.C24H16FN9O.C23H15F2N5O.C21H16F3N5O2.C21H17F2N5O2/c27-21-6-1-2-7-22(21)34-24(19-8-10-28-11-9-19)23(30-32-34)26-29-25(31-36-26)20-5-3-4-18(16-20)17-33-12-14-35-15-13-33;25-19-6-1-2-7-20(19)34-22(17-8-10-26-11-9-17)21(30-32-34)24-29-23(31-35-24)18-5-3-4-16(12-18)13-33-15-27-14-28-33;24-17-11-5-4-10-16(17)22-26-23(31-28-22)21-20(14-15-8-2-1-3-9-15)30(29-27-21)19-13-7-6-12-18(19)25;22-13-5-6-15(23)14(11-13)20-25-21(31-27-20)18-19(12-7-9-30-10-8-12)29(28-26-18)17-4-2-1-3-16(17)24;22-15-6-2-1-5-14(15)20-24-21(30-26-20)18-19(13-9-11-29-12-10-13)28(27-25-18)17-8-4-3-7-16(17)23/h1-11,16H,12-15,17H2;1-12,14-15H,13H2;1-13H,14H2;1-6,11-12H,7-10H2;1-8,13H,9-12H2.

What are the key properties of 5-[5-benzyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxan-4-yl)triazol-4-yl]-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxan-4-yl)triazol-4-yl]-1,2,4-oxadiazole;4-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole?

5-[5-benzyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxan-4-yl)triazol-4-yl]-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxan-4-yl)triazol-4-yl]-1,2,4-oxadiazole;4-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 2201.14 g/mol, XLogP of 21.15, 25 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-benzyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxan-4-yl)triazol-4-yl]-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxan-4-yl)triazol-4-yl]-1,2,4-oxadiazole;4-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 157062968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).