5-(3,4-diethoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-phenyl-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

C108H83F6N17O10 — CID 161112018

About 5-(3,4-diethoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-phenyl-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-diethoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-phenyl-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 161112018) has the molecular formula C108H83F6N17O10 and a molecular weight of 1892.95 g/mol. Its IUPAC name is 5-(3,4-diethoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-phenyl-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-diethoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-phenyl-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: 161112018
• Molecular Formula: C108H83F6N17O10
• Molecular Weight: 1892.95 g/mol
• Exact Mass: 1891.64
• IUPAC Name: 5-(3,4-diethoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-phenyl-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: CCOc1ccc(-c2nc(-c3ccccc3)no2)cc1OCC.CCOc1ccc(-c2nc(-c3ccccc3C)no2)cc1OCC.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/C22H15F3N2O.C19H13N3O.C19H20N2O3.C18H18N2O3.C15H7F3N4O.C15H10N4O/c1-14-7-5-6-10-19(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;1-4-22-16-11-10-14(12-17(16)23-5-2)19-20-18(21-24-19)15-9-7-6-8-13(15)3;1-3-21-15-11-10-14(12-16(15)22-4-2)18-19-17(20-23-18)13-8-6-5-7-9-13;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/h2-13H,1H3;1-13H;6-12H,4-5H2,1-3H3;5-12H,3-4H2,1-2H3;1-7H;2-8H,1H3
• InChIKey: UJUVWANBTOZOQU-UHFFFAOYSA-N
• XLogP: 26.24
• TPSA: 356.69 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 22
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1892.95
LogP ≤ 5	26.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-diethoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-phenyl-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-diethoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-phenyl-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 161112018) is 5-(3,4-diethoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-phenyl-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-diethoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-phenyl-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-diethoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-phenyl-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 CCOc1ccc(-c2nc(-c3ccccc3)no2)cc1OCC.CCOc1ccc(-c2nc(-c3ccccc3C)no2)cc1OCC.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-diethoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-phenyl-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 UJUVWANBTOZOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N2O.C19H13N3O.C19H20N2O3.C18H18N2O3.C15H7F3N4O.C15H10N4O/c1-14-7-5-6-10-19(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;1-4-22-16-11-10-14(12-17(16)23-5-2)19-20-18(21-24-19)15-9-7-6-8-13(15)3;1-3-21-15-11-10-14(12-16(15)22-4-2)18-19-17(20-23-18)13-8-6-5-7-9-13;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/h2-13H,1H3;1-13H;6-12H,4-5H2,1-3H3;5-12H,3-4H2,1-2H3;1-7H;2-8H,1H3.

What are the key properties of 5-(3,4-diethoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-phenyl-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-diethoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-phenyl-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 1892.95 g/mol, XLogP of 26.24, 22 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,4-diethoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-phenyl-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 161112018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).