3-(2-methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[3-phenyl-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole

C83H52F12N10O4 — CID 162111903

About 3-(2-methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[3-phenyl-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole

3-(2-methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[3-phenyl-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 162111903) has the molecular formula C83H52F12N10O4 and a molecular weight of 1481.37 g/mol. Its IUPAC name is 3-(2-methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[3-phenyl-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 3-(2-methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[3-phenyl-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole
• PubChem CID: 162111903
• Molecular Formula: C83H52F12N10O4
• Molecular Weight: 1481.37 g/mol
• Exact Mass: 1480.40
• IUPAC Name: 3-(2-methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[3-phenyl-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole
• SMILES: Cc1ccccc1-c1noc(-c2cc(-c3ccccc3)cc(C(F)(F)F)c2)n1.FC(F)(F)c1cc(-c2ccccc2)cc(-c2nc(-c3ccccc3)no2)c1.FC(F)(F)c1cc(-c2ccccc2)cc(-c2nc(-c3ccncc3)no2)c1.FC(F)(F)c1cc(-c2nc(-c3cccnc3)no2)ccc1-c1ccccc1
• InChI: InChI=1S/C22H15F3N2O.C21H13F3N2O.2C20H12F3N3O/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;22-21(23,24)18-12-16(14-7-3-1-4-8-14)11-17(13-18)20-25-19(26-27-20)15-9-5-2-6-10-15;21-20(22,23)17-11-14(8-9-16(17)13-5-2-1-3-6-13)19-25-18(26-27-19)15-7-4-10-24-12-15;21-20(22,23)17-11-15(13-4-2-1-3-5-13)10-16(12-17)19-25-18(26-27-19)14-6-8-24-9-7-14/h2-13H,1H3;1-13H;2*1-12H
• InChIKey: ZGGMAJBFTXRSQK-UHFFFAOYSA-N
• XLogP: 23.46
• TPSA: 181.46 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1481.37
LogP ≤ 5	23.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

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

The IUPAC name of 3-(2-methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[3-phenyl-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole (CID 162111903) is 3-(2-methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[3-phenyl-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole.

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

The canonical SMILES for 3-(2-methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[3-phenyl-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole is Cc1ccccc1-c1noc(-c2cc(-c3ccccc3)cc(C(F)(F)F)c2)n1.FC(F)(F)c1cc(-c2ccccc2)cc(-c2nc(-c3ccccc3)no2)c1.FC(F)(F)c1cc(-c2ccccc2)cc(-c2nc(-c3ccncc3)no2)c1.FC(F)(F)c1cc(-c2nc(-c3cccnc3)no2)ccc1-c1ccccc1.

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

The InChIKey is ZGGMAJBFTXRSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N2O.C21H13F3N2O.2C20H12F3N3O/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;22-21(23,24)18-12-16(14-7-3-1-4-8-14)11-17(13-18)20-25-19(26-27-20)15-9-5-2-6-10-15;21-20(22,23)17-11-14(8-9-16(17)13-5-2-1-3-6-13)19-25-18(26-27-19)15-7-4-10-24-12-15;21-20(22,23)17-11-15(13-4-2-1-3-5-13)10-16(12-17)19-25-18(26-27-19)14-6-8-24-9-7-14/h2-13H,1H3;1-13H;2*1-12H.

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

3-(2-methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[3-phenyl-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 1481.37 g/mol, XLogP of 23.46, 12 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[3-phenyl-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 162111903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).