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-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole

C104H64F9N35O6 — CID 157454537

About 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-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]-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-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole (PubChem CID 157454537) has the molecular formula C104H64F9N35O6 and a molecular weight of 2070.88 g/mol. Its IUPAC name is 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-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 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-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole
• PubChem CID: 157454537
• Molecular Formula: C104H64F9N35O6
• Molecular Weight: 2070.88 g/mol
• Exact Mass: 2069.56
• IUPAC Name: 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-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole
• SMILES: COc1ccc(F)cc1-c1noc(-c2nnn(-c3ccccc3F)c2-c2ccncc2)n1.Cc1ccccc1-c1noc(-c2nnn(-c3ccccc3F)c2-c2ccncc2)n1.Fc1ccccc1-n1nnc(-c2nc(-c3ccc(C(F)(F)F)nc3)no2)c1-c1ccncc1.Fc1ccccc1-n1nnc(-c2nc(-c3cnccn3)no2)c1-c1ccncc1.Nc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cn1
• InChI: InChI=1S/C22H14F2N6O2.C22H15FN6O.C21H11F4N7O.C20H13FN8O.C19H11FN8O/c1-31-18-7-6-14(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;22-14-3-1-2-4-15(14)32-18(12-7-9-26-10-8-12)17(29-31-32)20-28-19(30-33-20)13-5-6-16(27-11-13)21(23,24)25;21-14-3-1-2-4-15(14)29-18(12-7-9-23-10-8-12)17(26-28-29)20-25-19(27-30-20)13-5-6-16(22)24-11-13;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;2-13H,1H3;1-11H;1-11H,(H2,22,24);1-11H
• InChIKey: BTERWQBTEPWDFD-UHFFFAOYSA-N
• XLogP: 19.56
• TPSA: 499.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 41
• Rotatable Bonds: 21
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2070.88
LogP ≤ 5	19.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of 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-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole?

The IUPAC name of 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-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole (CID 157454537) is 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-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole.

What is the SMILES notation for 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-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole?

The canonical SMILES for 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-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole is COc1ccc(F)cc1-c1noc(-c2nnn(-c3ccccc3F)c2-c2ccncc2)n1.Cc1ccccc1-c1noc(-c2nnn(-c3ccccc3F)c2-c2ccncc2)n1.Fc1ccccc1-n1nnc(-c2nc(-c3ccc(C(F)(F)F)nc3)no2)c1-c1ccncc1.Fc1ccccc1-n1nnc(-c2nc(-c3cnccn3)no2)c1-c1ccncc1.Nc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cn1.

What is the InChIKey of 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-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole?

The InChIKey is BTERWQBTEPWDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F2N6O2.C22H15FN6O.C21H11F4N7O.C20H13FN8O.C19H11FN8O/c1-31-18-7-6-14(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;22-14-3-1-2-4-15(14)32-18(12-7-9-26-10-8-12)17(29-31-32)20-28-19(30-33-20)13-5-6-16(27-11-13)21(23,24)25;21-14-3-1-2-4-15(14)29-18(12-7-9-23-10-8-12)17(26-28-29)20-25-19(27-30-20)13-5-6-16(22)24-11-13;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;2-13H,1H3;1-11H;1-11H,(H2,22,24);1-11H.

What are the key properties of 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-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]-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-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 2070.88 g/mol, XLogP of 19.56, 21 rotatable bonds, 1 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 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-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 157454537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).