3-[6-(1,1-difluoroethyl)-3-pyridinyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-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-(2-methylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole

C106H68F8N34O6 — CID 160923597

About 3-[6-(1,1-difluoroethyl)-3-pyridinyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-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-(2-methylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole

3-[6-(1,1-difluoroethyl)-3-pyridinyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-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-(2-methylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole (PubChem CID 160923597) has the molecular formula C106H68F8N34O6 and a molecular weight of 2065.93 g/mol. Its IUPAC name is 3-[6-(1,1-difluoroethyl)-3-pyridinyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-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-(2-methylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 3-[6-(1,1-difluoroethyl)-3-pyridinyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-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-(2-methylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole
• PubChem CID: 160923597
• Molecular Formula: C106H68F8N34O6
• Molecular Weight: 2065.93 g/mol
• Exact Mass: 2064.59
• IUPAC Name: 3-[6-(1,1-difluoroethyl)-3-pyridinyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-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-(2-methylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole
• SMILES: CC(F)(F)c1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cn1.COc1ccc(F)cc1-c1noc(-c2nnn(-c3ccccc3F)c2-c2ccncc2)n1.Cc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cn1.Cc1ccccc1-c1noc(-c2nnn(-c3ccccc3F)c2-c2ccncc2)n1.Fc1ccccc1-n1nnc(-c2nc(-c3cnccn3)no2)c1-c1ccncc1
• InChI: InChI=1S/C22H14F3N7O.C22H14F2N6O2.C22H15FN6O.C21H14FN7O.C19H11FN8O/c1-22(24,25)17-7-6-14(12-27-17)20-28-21(33-30-20)18-19(13-8-10-26-11-9-13)32(31-29-18)16-5-3-2-4-15(16)23;1-31-18-7-6-14(23)12-15(18)21-26-22(32-28-21)19-20(13-8-10-25-11-9-13)30(29-27-19)17-5-3-2-4-16(17)24;1-14-6-2-3-7-16(14)21-25-22(30-27-21)19-20(15-10-12-24-13-11-15)29(28-26-19)18-9-5-4-8-17(18)23;1-13-6-7-15(12-24-13)20-25-21(30-27-20)18-19(14-8-10-23-11-9-14)29(28-26-18)17-5-3-2-4-16(17)22;20-13-3-1-2-4-15(13)28-17(12-5-7-21-8-6-12)16(25-27-28)19-24-18(26-29-19)14-11-22-9-10-23-14/h2-12H,1H3;2-12H,1H3;2-13H,1H3;2-12H,1H3;1-11H
• InChIKey: SSIUGYQXWUTYLC-UHFFFAOYSA-N
• XLogP: 20.38
• TPSA: 473.39 Ų
• H-Bond Acceptors: 40
• Rotatable Bonds: 22
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2065.93
LogP ≤ 5	20.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 3-[6-(1,1-difluoroethyl)-3-pyridinyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-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-(2-methylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole?

The IUPAC name of 3-[6-(1,1-difluoroethyl)-3-pyridinyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-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-(2-methylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole (CID 160923597) is 3-[6-(1,1-difluoroethyl)-3-pyridinyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-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-(2-methylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole.

What is the SMILES notation for 3-[6-(1,1-difluoroethyl)-3-pyridinyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-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-(2-methylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole?

The canonical SMILES for 3-[6-(1,1-difluoroethyl)-3-pyridinyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-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-(2-methylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole is CC(F)(F)c1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cn1.COc1ccc(F)cc1-c1noc(-c2nnn(-c3ccccc3F)c2-c2ccncc2)n1.Cc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cn1.Cc1ccccc1-c1noc(-c2nnn(-c3ccccc3F)c2-c2ccncc2)n1.Fc1ccccc1-n1nnc(-c2nc(-c3cnccn3)no2)c1-c1ccncc1.

What is the InChIKey of 3-[6-(1,1-difluoroethyl)-3-pyridinyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-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-(2-methylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole?

The InChIKey is SSIUGYQXWUTYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F3N7O.C22H14F2N6O2.C22H15FN6O.C21H14FN7O.C19H11FN8O/c1-22(24,25)17-7-6-14(12-27-17)20-28-21(33-30-20)18-19(13-8-10-26-11-9-13)32(31-29-18)16-5-3-2-4-15(16)23;1-31-18-7-6-14(23)12-15(18)21-26-22(32-28-21)19-20(13-8-10-25-11-9-13)30(29-27-19)17-5-3-2-4-16(17)24;1-14-6-2-3-7-16(14)21-25-22(30-27-21)19-20(15-10-12-24-13-11-15)29(28-26-19)18-9-5-4-8-17(18)23;1-13-6-7-15(12-24-13)20-25-21(30-27-20)18-19(14-8-10-23-11-9-14)29(28-26-18)17-5-3-2-4-16(17)22;20-13-3-1-2-4-15(13)28-17(12-5-7-21-8-6-12)16(25-27-28)19-24-18(26-29-19)14-11-22-9-10-23-14/h2-12H,1H3;2-12H,1H3;2-13H,1H3;2-12H,1H3;1-11H.

What are the key properties of 3-[6-(1,1-difluoroethyl)-3-pyridinyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-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-(2-methylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole?

3-[6-(1,1-difluoroethyl)-3-pyridinyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-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-(2-methylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole has a molecular weight of 2065.93 g/mol, XLogP of 20.38, 22 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-(1,1-difluoroethyl)-3-pyridinyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-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-(2-methylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 160923597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).