5-[3,5-bis(trifluoromethyl)phenyl]-3-(2-methylphenyl)-1,2,4-oxadiazole;5-[3,5-bis(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole;5-[3-bromo-5-(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole;5-(3,5-diethoxyphenyl)-3-phenyl-1,2,4-oxadiazole;5-[3-(3-methylbutyl)phenyl]-3-phenyl-1,2,4-oxadiazole;5-(3-phenoxyphenyl)-3-phenyl-1,2,4-oxadiazole;5-(4-piperidin-2-ylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole

C123H96BrF15N16O10 — CID 159470113

About 5-[3,5-bis(trifluoromethyl)phenyl]-3-(2-methylphenyl)-1,2,4-oxadiazole;5-[3,5-bis(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole;5-[3-bromo-5-(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole;5-(3,5-diethoxyphenyl)-3-phenyl-1,2,4-oxadiazole;5-[3-(3-methylbutyl)phenyl]-3-phenyl-1,2,4-oxadiazole;5-(3-phenoxyphenyl)-3-phenyl-1,2,4-oxadiazole;5-(4-piperidin-2-ylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole

5-[3,5-bis(trifluoromethyl)phenyl]-3-(2-methylphenyl)-1,2,4-oxadiazole;5-[3,5-bis(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole;5-[3-bromo-5-(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole;5-(3,5-diethoxyphenyl)-3-phenyl-1,2,4-oxadiazole;5-[3-(3-methylbutyl)phenyl]-3-phenyl-1,2,4-oxadiazole;5-(3-phenoxyphenyl)-3-phenyl-1,2,4-oxadiazole;5-(4-piperidin-2-ylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 159470113) has the molecular formula C123H96BrF15N16O10 and a molecular weight of 2323.10 g/mol. Its IUPAC name is 5-[3,5-bis(trifluoromethyl)phenyl]-3-(2-methylphenyl)-1,2,4-oxadiazole;5-[3,5-bis(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole;5-[3-bromo-5-(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole;5-(3,5-diethoxyphenyl)-3-phenyl-1,2,4-oxadiazole;5-[3-(3-methylbutyl)phenyl]-3-phenyl-1,2,4-oxadiazole;5-(3-phenoxyphenyl)-3-phenyl-1,2,4-oxadiazole;5-(4-piperidin-2-ylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-[3,5-bis(trifluoromethyl)phenyl]-3-(2-methylphenyl)-1,2,4-oxadiazole;5-[3,5-bis(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole;5-[3-bromo-5-(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole;5-(3,5-diethoxyphenyl)-3-phenyl-1,2,4-oxadiazole;5-[3-(3-methylbutyl)phenyl]-3-phenyl-1,2,4-oxadiazole;5-(3-phenoxyphenyl)-3-phenyl-1,2,4-oxadiazole;5-(4-piperidin-2-ylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
• PubChem CID: 159470113
• Molecular Formula: C123H96BrF15N16O10
• Molecular Weight: 2323.10 g/mol
• Exact Mass: 2320.64
• IUPAC Name: 5-[3,5-bis(trifluoromethyl)phenyl]-3-(2-methylphenyl)-1,2,4-oxadiazole;5-[3,5-bis(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole;5-[3-bromo-5-(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole;5-(3,5-diethoxyphenyl)-3-phenyl-1,2,4-oxadiazole;5-[3-(3-methylbutyl)phenyl]-3-phenyl-1,2,4-oxadiazole;5-(3-phenoxyphenyl)-3-phenyl-1,2,4-oxadiazole;5-(4-piperidin-2-ylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
• SMILES: CC(C)CCc1cccc(-c2nc(-c3ccccc3)no2)c1.CCOc1cc(OCC)cc(-c2nc(-c3ccccc3)no2)c1.Cc1ccccc1-c1noc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1.FC(F)(F)c1cc(-c2nc(-c3ccccc3)no2)cc(C(F)(F)F)c1.FC(F)(F)c1cc(Br)cc(-c2nc(-c3ccccc3)no2)c1.c1cc(-c2noc(-c3ccc(C4CCCCN4)cc3)n2)ccn1.c1ccc(Oc2cccc(-c3nc(-c4ccccc4)no3)c2)cc1
• InChI: InChI=1S/C20H14N2O2.C19H20N2O.C18H18N4O.C18H18N2O3.C17H10F6N2O.C16H8F6N2O.C15H8BrF3N2O/c1-3-8-15(9-4-1)19-21-20(24-22-19)16-10-7-13-18(14-16)23-17-11-5-2-6-12-17;1-14(2)11-12-15-7-6-10-17(13-15)19-20-18(21-22-19)16-8-4-3-5-9-16;1-2-10-20-16(3-1)13-4-6-15(7-5-13)18-21-17(22-23-18)14-8-11-19-12-9-14;1-3-21-15-10-14(11-16(12-15)22-4-2)18-19-17(20-23-18)13-8-6-5-7-9-13;1-9-4-2-3-5-13(9)14-24-15(26-25-14)10-6-11(16(18,19)20)8-12(7-10)17(21,22)23;17-15(18,19)11-6-10(7-12(8-11)16(20,21)22)14-23-13(24-25-14)9-4-2-1-3-5-9;16-12-7-10(6-11(8-12)15(17,18)19)14-20-13(21-22-14)9-4-2-1-3-5-9/h1-14H;3-10,13-14H,11-12H2,1-2H3;4-9,11-12,16,20H,1-3,10H2;5-12H,3-4H2,1-2H3;2-8H,1H3;1-8H;1-8H
• InChIKey: LVRRJJRGVOXPEE-UHFFFAOYSA-N
• XLogP: 34.38
• TPSA: 325.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 26
• Rotatable Bonds: 24
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2323.10
LogP ≤ 5	34.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 5-[3,5-bis(trifluoromethyl)phenyl]-3-(2-methylphenyl)-1,2,4-oxadiazole;5-[3,5-bis(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole;5-[3-bromo-5-(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole;5-(3,5-diethoxyphenyl)-3-phenyl-1,2,4-oxadiazole;5-[3-(3-methylbutyl)phenyl]-3-phenyl-1,2,4-oxadiazole;5-(3-phenoxyphenyl)-3-phenyl-1,2,4-oxadiazole;5-(4-piperidin-2-ylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole?

The IUPAC name of 5-[3,5-bis(trifluoromethyl)phenyl]-3-(2-methylphenyl)-1,2,4-oxadiazole;5-[3,5-bis(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole;5-[3-bromo-5-(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole;5-(3,5-diethoxyphenyl)-3-phenyl-1,2,4-oxadiazole;5-[3-(3-methylbutyl)phenyl]-3-phenyl-1,2,4-oxadiazole;5-(3-phenoxyphenyl)-3-phenyl-1,2,4-oxadiazole;5-(4-piperidin-2-ylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole (CID 159470113) is 5-[3,5-bis(trifluoromethyl)phenyl]-3-(2-methylphenyl)-1,2,4-oxadiazole;5-[3,5-bis(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole;5-[3-bromo-5-(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole;5-(3,5-diethoxyphenyl)-3-phenyl-1,2,4-oxadiazole;5-[3-(3-methylbutyl)phenyl]-3-phenyl-1,2,4-oxadiazole;5-(3-phenoxyphenyl)-3-phenyl-1,2,4-oxadiazole;5-(4-piperidin-2-ylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole.

What is the SMILES notation for 5-[3,5-bis(trifluoromethyl)phenyl]-3-(2-methylphenyl)-1,2,4-oxadiazole;5-[3,5-bis(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole;5-[3-bromo-5-(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole;5-(3,5-diethoxyphenyl)-3-phenyl-1,2,4-oxadiazole;5-[3-(3-methylbutyl)phenyl]-3-phenyl-1,2,4-oxadiazole;5-(3-phenoxyphenyl)-3-phenyl-1,2,4-oxadiazole;5-(4-piperidin-2-ylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole?

The canonical SMILES for 5-[3,5-bis(trifluoromethyl)phenyl]-3-(2-methylphenyl)-1,2,4-oxadiazole;5-[3,5-bis(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole;5-[3-bromo-5-(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole;5-(3,5-diethoxyphenyl)-3-phenyl-1,2,4-oxadiazole;5-[3-(3-methylbutyl)phenyl]-3-phenyl-1,2,4-oxadiazole;5-(3-phenoxyphenyl)-3-phenyl-1,2,4-oxadiazole;5-(4-piperidin-2-ylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole is CC(C)CCc1cccc(-c2nc(-c3ccccc3)no2)c1.CCOc1cc(OCC)cc(-c2nc(-c3ccccc3)no2)c1.Cc1ccccc1-c1noc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1.FC(F)(F)c1cc(-c2nc(-c3ccccc3)no2)cc(C(F)(F)F)c1.FC(F)(F)c1cc(Br)cc(-c2nc(-c3ccccc3)no2)c1.c1cc(-c2noc(-c3ccc(C4CCCCN4)cc3)n2)ccn1.c1ccc(Oc2cccc(-c3nc(-c4ccccc4)no3)c2)cc1.

What is the InChIKey of 5-[3,5-bis(trifluoromethyl)phenyl]-3-(2-methylphenyl)-1,2,4-oxadiazole;5-[3,5-bis(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole;5-[3-bromo-5-(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole;5-(3,5-diethoxyphenyl)-3-phenyl-1,2,4-oxadiazole;5-[3-(3-methylbutyl)phenyl]-3-phenyl-1,2,4-oxadiazole;5-(3-phenoxyphenyl)-3-phenyl-1,2,4-oxadiazole;5-(4-piperidin-2-ylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole?

The InChIKey is LVRRJJRGVOXPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O2.C19H20N2O.C18H18N4O.C18H18N2O3.C17H10F6N2O.C16H8F6N2O.C15H8BrF3N2O/c1-3-8-15(9-4-1)19-21-20(24-22-19)16-10-7-13-18(14-16)23-17-11-5-2-6-12-17;1-14(2)11-12-15-7-6-10-17(13-15)19-20-18(21-22-19)16-8-4-3-5-9-16;1-2-10-20-16(3-1)13-4-6-15(7-5-13)18-21-17(22-23-18)14-8-11-19-12-9-14;1-3-21-15-10-14(11-16(12-15)22-4-2)18-19-17(20-23-18)13-8-6-5-7-9-13;1-9-4-2-3-5-13(9)14-24-15(26-25-14)10-6-11(16(18,19)20)8-12(7-10)17(21,22)23;17-15(18,19)11-6-10(7-12(8-11)16(20,21)22)14-23-13(24-25-14)9-4-2-1-3-5-9;16-12-7-10(6-11(8-12)15(17,18)19)14-20-13(21-22-14)9-4-2-1-3-5-9/h1-14H;3-10,13-14H,11-12H2,1-2H3;4-9,11-12,16,20H,1-3,10H2;5-12H,3-4H2,1-2H3;2-8H,1H3;1-8H;1-8H.

What are the key properties of 5-[3,5-bis(trifluoromethyl)phenyl]-3-(2-methylphenyl)-1,2,4-oxadiazole;5-[3,5-bis(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole;5-[3-bromo-5-(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole;5-(3,5-diethoxyphenyl)-3-phenyl-1,2,4-oxadiazole;5-[3-(3-methylbutyl)phenyl]-3-phenyl-1,2,4-oxadiazole;5-(3-phenoxyphenyl)-3-phenyl-1,2,4-oxadiazole;5-(4-piperidin-2-ylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole?

5-[3,5-bis(trifluoromethyl)phenyl]-3-(2-methylphenyl)-1,2,4-oxadiazole;5-[3,5-bis(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole;5-[3-bromo-5-(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole;5-(3,5-diethoxyphenyl)-3-phenyl-1,2,4-oxadiazole;5-[3-(3-methylbutyl)phenyl]-3-phenyl-1,2,4-oxadiazole;5-(3-phenoxyphenyl)-3-phenyl-1,2,4-oxadiazole;5-(4-piperidin-2-ylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 2323.10 g/mol, XLogP of 34.38, 24 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3,5-bis(trifluoromethyl)phenyl]-3-(2-methylphenyl)-1,2,4-oxadiazole;5-[3,5-bis(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole;5-[3-bromo-5-(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole;5-(3,5-diethoxyphenyl)-3-phenyl-1,2,4-oxadiazole;5-[3-(3-methylbutyl)phenyl]-3-phenyl-1,2,4-oxadiazole;5-(3-phenoxyphenyl)-3-phenyl-1,2,4-oxadiazole;5-(4-piperidin-2-ylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 159470113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).