3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole;1-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone

C103H81F6N29O10 — CID 160554557

About 3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole;1-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone

3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole;1-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone (PubChem CID 160554557) has the molecular formula C103H81F6N29O10 and a molecular weight of 1998.96 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole;1-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole;1-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone
• PubChem CID: 160554557
• Molecular Formula: C103H81F6N29O10
• Molecular Weight: 1998.96 g/mol
• Exact Mass: 1997.66
• IUPAC Name: 3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole;1-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone
• SMILES: CC(=O)N1CCC(c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)CC1.COc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccccn3)n2)cc1.Fc1ccccc1-c1noc(-c2nnn(-c3ccccc3F)c2C2CCCO2)n1.Fc1ccccc1-n1nnc(-c2nc(-c3ccccc3)no2)c1C1CCCO1.Fc1ccccc1-n1nnc(-c2nc(-c3cccnc3)no2)c1C1CCCO1
• InChI: InChI=1S/C22H20FN7O2.C22H15FN6O2.C20H15F2N5O2.C20H16FN5O2.C19H15FN6O2/c1-14(31)29-12-8-16(9-13-29)21-25-22(32-27-21)19-20(15-6-10-24-11-7-15)30(28-26-19)18-5-3-2-4-17(18)23;1-30-15-11-9-14(10-12-15)21-25-22(31-27-21)19-20(17-7-4-5-13-24-17)29(28-26-19)18-8-3-2-6-16(18)23;21-13-7-2-1-6-12(13)19-23-20(29-25-19)17-18(16-10-5-11-28-16)27(26-24-17)15-9-4-3-8-14(15)22;21-14-9-4-5-10-15(14)26-18(16-11-6-12-27-16)17(23-25-26)20-22-19(24-28-20)13-7-2-1-3-8-13;20-13-6-1-2-7-14(13)26-17(15-8-4-10-27-15)16(23-25-26)19-22-18(24-28-19)12-5-3-9-21-11-12/h2-7,10-11,16H,8-9,12-13H2,1H3;2-13H,1H3;1-4,6-9,16H,5,10-11H2;1-5,7-10,16H,6,11-12H2;1-3,5-7,9,11,15H,4,8,10H2
• InChIKey: QYMWRGYKRIYZOZ-UHFFFAOYSA-N
• XLogP: 18.90
• TPSA: 444.05 Ų
• H-Bond Acceptors: 38
• Rotatable Bonds: 21
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1998.96
LogP ≤ 5	18.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole;1-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone?

The IUPAC name of 3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole;1-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone (CID 160554557) is 3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole;1-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone.

What is the SMILES notation for 3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole;1-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone?

The canonical SMILES for 3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole;1-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)CC1.COc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccccn3)n2)cc1.Fc1ccccc1-c1noc(-c2nnn(-c3ccccc3F)c2C2CCCO2)n1.Fc1ccccc1-n1nnc(-c2nc(-c3ccccc3)no2)c1C1CCCO1.Fc1ccccc1-n1nnc(-c2nc(-c3cccnc3)no2)c1C1CCCO1.

What is the InChIKey of 3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole;1-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone?

The InChIKey is QYMWRGYKRIYZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN7O2.C22H15FN6O2.C20H15F2N5O2.C20H16FN5O2.C19H15FN6O2/c1-14(31)29-12-8-16(9-13-29)21-25-22(32-27-21)19-20(15-6-10-24-11-7-15)30(28-26-19)18-5-3-2-4-17(18)23;1-30-15-11-9-14(10-12-15)21-25-22(31-27-21)19-20(17-7-4-5-13-24-17)29(28-26-19)18-8-3-2-6-16(18)23;21-13-7-2-1-6-12(13)19-23-20(29-25-19)17-18(16-10-5-11-28-16)27(26-24-17)15-9-4-3-8-14(15)22;21-14-9-4-5-10-15(14)26-18(16-11-6-12-27-16)17(23-25-26)20-22-19(24-28-20)13-7-2-1-3-8-13;20-13-6-1-2-7-14(13)26-17(15-8-4-10-27-15)16(23-25-26)19-22-18(24-28-19)12-5-3-9-21-11-12/h2-7,10-11,16H,8-9,12-13H2,1H3;2-13H,1H3;1-4,6-9,16H,5,10-11H2;1-5,7-10,16H,6,11-12H2;1-3,5-7,9,11,15H,4,8,10H2.

What are the key properties of 3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole;1-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone?

3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole;1-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone has a molecular weight of 1998.96 g/mol, XLogP of 18.90, 21 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole;1-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 160554557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).