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-(3-piperidin-4-ylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-piperidin-2-ylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole

C124H104BrF9N18O10 — CID 158781391

About 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-(3-piperidin-4-ylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-piperidin-2-ylphenyl)-3-pyridin-4-yl-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-(3-piperidin-4-ylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-piperidin-2-ylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 158781391) has the molecular formula C124H104BrF9N18O10 and a molecular weight of 2257.20 g/mol. Its IUPAC name is 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-(3-piperidin-4-ylphenyl)-3-pyridin-4-yl-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-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-(3-piperidin-4-ylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-piperidin-2-ylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
• PubChem CID: 158781391
• Molecular Formula: C124H104BrF9N18O10
• Molecular Weight: 2257.20 g/mol
• Exact Mass: 2254.72
• IUPAC Name: 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-(3-piperidin-4-ylphenyl)-3-pyridin-4-yl-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.FC(F)(F)c1cc(-c2nc(-c3ccccc3)no2)cc(C(F)(F)F)c1.FC(F)(F)c1cc(Br)cc(-c2nc(-c3ccccc3)no2)c1.c1cc(-c2nc(-c3ccncc3)no2)cc(C2CCNCC2)c1.c1cc(-c2noc(-c3ccc(C4CCCCN4)cc3)n2)ccn1.c1ccc(Oc2cccc(-c3nc(-c4ccccc4)no3)c2)cc1
• InChI: InChI=1S/C20H14N2O2.C19H20N2O.2C18H18N4O.C18H18N2O3.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;1-2-15(13-4-8-19-9-5-13)12-16(3-1)18-21-17(22-23-18)14-6-10-20-11-7-14;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;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;1-3,6-7,10-13,19H,4-5,8-9H2;4-9,11-12,16,20H,1-3,10H2;5-12H,3-4H2,1-2H3;1-8H;1-8H
• InChIKey: IRCWSULUGVEMFJ-UHFFFAOYSA-N
• XLogP: 31.89
• TPSA: 349.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 28
• Rotatable Bonds: 25
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2257.20
LogP ≤ 5	31.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 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-(3-piperidin-4-ylphenyl)-3-pyridin-4-yl-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-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-(3-piperidin-4-ylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-piperidin-2-ylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole (CID 158781391) is 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-(3-piperidin-4-ylphenyl)-3-pyridin-4-yl-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-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-(3-piperidin-4-ylphenyl)-3-pyridin-4-yl-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-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-(3-piperidin-4-ylphenyl)-3-pyridin-4-yl-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.FC(F)(F)c1cc(-c2nc(-c3ccccc3)no2)cc(C(F)(F)F)c1.FC(F)(F)c1cc(Br)cc(-c2nc(-c3ccccc3)no2)c1.c1cc(-c2nc(-c3ccncc3)no2)cc(C2CCNCC2)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-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-(3-piperidin-4-ylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-piperidin-2-ylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole?

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

What are the key properties of 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-(3-piperidin-4-ylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-piperidin-2-ylphenyl)-3-pyridin-4-yl-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-(3-piperidin-4-ylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-piperidin-2-ylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 2257.20 g/mol, XLogP of 31.89, 25 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 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-(3-piperidin-4-ylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-piperidin-2-ylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 158781391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).