3-(2,6-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2-fluoro-3-methylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(3-fluoro-5-methylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole;4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine

C113H76F9N31O6 — CID 160648714

About 3-(2,6-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2-fluoro-3-methylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(3-fluoro-5-methylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole;4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine

3-(2,6-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2-fluoro-3-methylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(3-fluoro-5-methylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole;4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine (PubChem CID 160648714) has the molecular formula C113H76F9N31O6 and a molecular weight of 2135.04 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2-fluoro-3-methylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(3-fluoro-5-methylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole;4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine.

Molecular Properties

• Compound Name: 3-(2,6-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2-fluoro-3-methylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(3-fluoro-5-methylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole;4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine
• PubChem CID: 160648714
• Molecular Formula: C113H76F9N31O6
• Molecular Weight: 2135.04 g/mol
• Exact Mass: 2133.65
• IUPAC Name: 3-(2,6-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2-fluoro-3-methylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(3-fluoro-5-methylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole;4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine
• SMILES: Cc1cc(F)cc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)c1.Cc1cccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)c1.Cc1cccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)c1F.Fc1ccccc1-n1nnc(-c2nc(-c3c(F)cccc3F)no2)c1-c1ccncc1.Fc1ccccc1-n1nnc(-c2nc(-c3ccc(CN4CCOCC4)cc3)no2)c1-c1ccncc1
• InChI: InChI=1S/C26H22FN7O2.2C22H14F2N6O.C22H15FN6O.C21H11F3N6O/c27-21-3-1-2-4-22(21)34-24(19-9-11-28-12-10-19)23(30-32-34)26-29-25(31-36-26)20-7-5-18(6-8-20)17-33-13-15-35-16-14-33;1-13-5-4-6-15(18(13)24)21-26-22(31-28-21)19-20(14-9-11-25-12-10-14)30(29-27-19)17-8-3-2-7-16(17)23;1-13-10-15(12-16(23)11-13)21-26-22(31-28-21)19-20(14-6-8-25-9-7-14)30(29-27-19)18-5-3-2-4-17(18)24;1-14-5-4-6-16(13-14)21-25-22(30-27-21)19-20(15-9-11-24-12-10-15)29(28-26-19)18-8-3-2-7-17(18)23;22-13-4-1-2-7-16(13)30-19(12-8-10-25-11-9-12)18(27-29-30)21-26-20(28-31-21)17-14(23)5-3-6-15(17)24/h1-12H,13-17H2;2*2-12H,1H3;2-13H,1H3;1-11H
• InChIKey: RKDCIYDWKWYQMV-UHFFFAOYSA-N
• XLogP: 22.24
• TPSA: 425.07 Ų
• H-Bond Acceptors: 37
• Rotatable Bonds: 22
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2135.04
LogP ≤ 5	22.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2-fluoro-3-methylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(3-fluoro-5-methylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole;4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine?

The IUPAC name of 3-(2,6-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2-fluoro-3-methylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(3-fluoro-5-methylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole;4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine (CID 160648714) is 3-(2,6-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2-fluoro-3-methylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(3-fluoro-5-methylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole;4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine.

What is the SMILES notation for 3-(2,6-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2-fluoro-3-methylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(3-fluoro-5-methylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole;4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine?

The canonical SMILES for 3-(2,6-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2-fluoro-3-methylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(3-fluoro-5-methylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole;4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine is Cc1cc(F)cc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)c1.Cc1cccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)c1.Cc1cccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)c1F.Fc1ccccc1-n1nnc(-c2nc(-c3c(F)cccc3F)no2)c1-c1ccncc1.Fc1ccccc1-n1nnc(-c2nc(-c3ccc(CN4CCOCC4)cc3)no2)c1-c1ccncc1.

What is the InChIKey of 3-(2,6-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2-fluoro-3-methylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(3-fluoro-5-methylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole;4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine?

The InChIKey is RKDCIYDWKWYQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN7O2.2C22H14F2N6O.C22H15FN6O.C21H11F3N6O/c27-21-3-1-2-4-22(21)34-24(19-9-11-28-12-10-19)23(30-32-34)26-29-25(31-36-26)20-7-5-18(6-8-20)17-33-13-15-35-16-14-33;1-13-5-4-6-15(18(13)24)21-26-22(31-28-21)19-20(14-9-11-25-12-10-14)30(29-27-19)17-8-3-2-7-16(17)23;1-13-10-15(12-16(23)11-13)21-26-22(31-28-21)19-20(14-6-8-25-9-7-14)30(29-27-19)18-5-3-2-4-17(18)24;1-14-5-4-6-16(13-14)21-25-22(30-27-21)19-20(15-9-11-24-12-10-15)29(28-26-19)18-8-3-2-7-17(18)23;22-13-4-1-2-7-16(13)30-19(12-8-10-25-11-9-12)18(27-29-30)21-26-20(28-31-21)17-14(23)5-3-6-15(17)24/h1-12H,13-17H2;2*2-12H,1H3;2-13H,1H3;1-11H.

What are the key properties of 3-(2,6-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2-fluoro-3-methylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(3-fluoro-5-methylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole;4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine?

3-(2,6-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2-fluoro-3-methylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(3-fluoro-5-methylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole;4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine has a molecular weight of 2135.04 g/mol, XLogP of 22.24, 22 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,6-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2-fluoro-3-methylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(3-fluoro-5-methylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole;4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine is sourced from PubChem (CID 160648714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).