5-[3-(4-butylphenyl)-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;3-(2-methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;2-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzonitrile;5-(3-phenylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)benzonitrile

C95H65F9N16O5 — CID 159221844

About 5-[3-(4-butylphenyl)-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;3-(2-methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;2-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzonitrile;5-(3-phenylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)benzonitrile

5-[3-(4-butylphenyl)-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;3-(2-methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;2-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzonitrile;5-(3-phenylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)benzonitrile (PubChem CID 159221844) has the molecular formula C95H65F9N16O5 and a molecular weight of 1681.65 g/mol. Its IUPAC name is 5-[3-(4-butylphenyl)-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;3-(2-methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;2-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzonitrile;5-(3-phenylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)benzonitrile.

Molecular Properties

• Compound Name: 5-[3-(4-butylphenyl)-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;3-(2-methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;2-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzonitrile;5-(3-phenylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)benzonitrile
• PubChem CID: 159221844
• Molecular Formula: C95H65F9N16O5
• Molecular Weight: 1681.65 g/mol
• Exact Mass: 1680.52
• IUPAC Name: 5-[3-(4-butylphenyl)-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;3-(2-methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;2-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzonitrile;5-(3-phenylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)benzonitrile
• SMILES: CCCCc1ccc(-c2cc(-c3nc(-c4ccncc4)no3)cc(C(F)(F)F)c2)cc1.Cc1cc(-c2nc(-c3ccncc3)no2)ccc1C#N.Cc1ccccc1-c1noc(-c2cc(-c3ccccc3)cc(C(F)(F)F)c2)n1.N#Cc1cc(-c2nc(-c3ccncc3)no2)cc(C(F)(F)F)c1.c1ccc(-c2cccc(-c3nc(-c4ccncc4)no3)c2)cc1
• InChI: InChI=1S/C24H20F3N3O.C22H15F3N2O.C19H13N3O.C15H7F3N4O.C15H10N4O/c1-2-3-4-16-5-7-17(8-6-16)19-13-20(15-21(14-19)24(25,26)27)23-29-22(30-31-23)18-9-11-28-12-10-18;1-14-7-5-6-10-19(14)20-26-21(28-27-20)17-11-16(15-8-3-2-4-9-15)12-18(13-17)22(23,24)25;1-2-5-14(6-3-1)16-7-4-8-17(13-16)19-21-18(22-23-19)15-9-11-20-12-10-15;16-15(17,18)12-6-9(8-19)5-11(7-12)14-21-13(22-23-14)10-1-3-20-4-2-10;1-10-8-12(2-3-13(10)9-16)15-18-14(19-20-15)11-4-6-17-7-5-11/h5-15H,2-4H2,1H3;2-13H,1H3;1-13H;1-7H;2-8H,1H3
• InChIKey: KRUFVTUYSQNDPU-UHFFFAOYSA-N
• XLogP: 24.36
• TPSA: 293.74 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 16
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1681.65
LogP ≤ 5	24.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-butylphenyl)-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;3-(2-methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;2-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzonitrile;5-(3-phenylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)benzonitrile?

The IUPAC name of 5-[3-(4-butylphenyl)-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;3-(2-methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;2-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzonitrile;5-(3-phenylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)benzonitrile (CID 159221844) is 5-[3-(4-butylphenyl)-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;3-(2-methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;2-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzonitrile;5-(3-phenylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)benzonitrile.

What is the SMILES notation for 5-[3-(4-butylphenyl)-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;3-(2-methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;2-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzonitrile;5-(3-phenylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)benzonitrile?

The canonical SMILES for 5-[3-(4-butylphenyl)-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;3-(2-methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;2-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzonitrile;5-(3-phenylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)benzonitrile is CCCCc1ccc(-c2cc(-c3nc(-c4ccncc4)no3)cc(C(F)(F)F)c2)cc1.Cc1cc(-c2nc(-c3ccncc3)no2)ccc1C#N.Cc1ccccc1-c1noc(-c2cc(-c3ccccc3)cc(C(F)(F)F)c2)n1.N#Cc1cc(-c2nc(-c3ccncc3)no2)cc(C(F)(F)F)c1.c1ccc(-c2cccc(-c3nc(-c4ccncc4)no3)c2)cc1.

What is the InChIKey of 5-[3-(4-butylphenyl)-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;3-(2-methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;2-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzonitrile;5-(3-phenylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)benzonitrile?

The InChIKey is KRUFVTUYSQNDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O.C22H15F3N2O.C19H13N3O.C15H7F3N4O.C15H10N4O/c1-2-3-4-16-5-7-17(8-6-16)19-13-20(15-21(14-19)24(25,26)27)23-29-22(30-31-23)18-9-11-28-12-10-18;1-14-7-5-6-10-19(14)20-26-21(28-27-20)17-11-16(15-8-3-2-4-9-15)12-18(13-17)22(23,24)25;1-2-5-14(6-3-1)16-7-4-8-17(13-16)19-21-18(22-23-19)15-9-11-20-12-10-15;16-15(17,18)12-6-9(8-19)5-11(7-12)14-21-13(22-23-14)10-1-3-20-4-2-10;1-10-8-12(2-3-13(10)9-16)15-18-14(19-20-15)11-4-6-17-7-5-11/h5-15H,2-4H2,1H3;2-13H,1H3;1-13H;1-7H;2-8H,1H3.

What are the key properties of 5-[3-(4-butylphenyl)-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;3-(2-methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;2-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzonitrile;5-(3-phenylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)benzonitrile?

5-[3-(4-butylphenyl)-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;3-(2-methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;2-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzonitrile;5-(3-phenylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)benzonitrile has a molecular weight of 1681.65 g/mol, XLogP of 24.36, 16 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(4-butylphenyl)-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;3-(2-methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;2-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzonitrile;5-(3-phenylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 159221844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).