5-(4-cyclohexylphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-(4-cyclohexylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazole;5-[4-(2-methylpropyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole

C80H78F6N8O8 — CID 158518333

About 5-(4-cyclohexylphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-(4-cyclohexylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazole;5-[4-(2-methylpropyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole

5-(4-cyclohexylphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-(4-cyclohexylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazole;5-[4-(2-methylpropyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole (PubChem CID 158518333) has the molecular formula C80H78F6N8O8 and a molecular weight of 1393.54 g/mol. Its IUPAC name is 5-(4-cyclohexylphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-(4-cyclohexylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazole;5-[4-(2-methylpropyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-(4-cyclohexylphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-(4-cyclohexylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazole;5-[4-(2-methylpropyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
• PubChem CID: 158518333
• Molecular Formula: C80H78F6N8O8
• Molecular Weight: 1393.54 g/mol
• Exact Mass: 1392.58
• IUPAC Name: 5-(4-cyclohexylphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-(4-cyclohexylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazole;5-[4-(2-methylpropyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
• SMILES: CC(C)Cc1ccc(-c2nc(-c3ccccc3OC(F)(F)F)no2)cc1.COc1ccccc1-c1noc(-c2ccc(C3CCCCC3)cc2)n1.COc1ccccc1-c1noc(-c2ccc(CC(C)C)cc2)n1.FC(F)(F)Oc1ccccc1-c1noc(-c2ccc(C3CCCCC3)cc2)n1
• InChI: InChI=1S/C21H19F3N2O2.C21H22N2O2.C19H17F3N2O2.C19H20N2O2/c22-21(23,24)27-18-9-5-4-8-17(18)19-25-20(28-26-19)16-12-10-15(11-13-16)14-6-2-1-3-7-14;1-24-19-10-6-5-9-18(19)20-22-21(25-23-20)17-13-11-16(12-14-17)15-7-3-2-4-8-15;1-12(2)11-13-7-9-14(10-8-13)18-23-17(24-26-18)15-5-3-4-6-16(15)25-19(20,21)22;1-13(2)12-14-8-10-15(11-9-14)19-20-18(21-23-19)16-6-4-5-7-17(16)22-3/h4-5,8-14H,1-3,6-7H2;5-6,9-15H,2-4,7-8H2,1H3;3-10,12H,11H2,1-2H3;4-11,13H,12H2,1-3H3
• InChIKey: HLXCZUUMYKLCTE-UHFFFAOYSA-N
• XLogP: 21.92
• TPSA: 192.60 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 18
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1393.54
LogP ≤ 5	21.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclohexylphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-(4-cyclohexylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazole;5-[4-(2-methylpropyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?

The IUPAC name of 5-(4-cyclohexylphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-(4-cyclohexylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazole;5-[4-(2-methylpropyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole (CID 158518333) is 5-(4-cyclohexylphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-(4-cyclohexylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazole;5-[4-(2-methylpropyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole.

What is the SMILES notation for 5-(4-cyclohexylphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-(4-cyclohexylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazole;5-[4-(2-methylpropyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?

The canonical SMILES for 5-(4-cyclohexylphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-(4-cyclohexylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazole;5-[4-(2-methylpropyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole is CC(C)Cc1ccc(-c2nc(-c3ccccc3OC(F)(F)F)no2)cc1.COc1ccccc1-c1noc(-c2ccc(C3CCCCC3)cc2)n1.COc1ccccc1-c1noc(-c2ccc(CC(C)C)cc2)n1.FC(F)(F)Oc1ccccc1-c1noc(-c2ccc(C3CCCCC3)cc2)n1.

What is the InChIKey of 5-(4-cyclohexylphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-(4-cyclohexylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazole;5-[4-(2-methylpropyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?

The InChIKey is HLXCZUUMYKLCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O2.C21H22N2O2.C19H17F3N2O2.C19H20N2O2/c22-21(23,24)27-18-9-5-4-8-17(18)19-25-20(28-26-19)16-12-10-15(11-13-16)14-6-2-1-3-7-14;1-24-19-10-6-5-9-18(19)20-22-21(25-23-20)17-13-11-16(12-14-17)15-7-3-2-4-8-15;1-12(2)11-13-7-9-14(10-8-13)18-23-17(24-26-18)15-5-3-4-6-16(15)25-19(20,21)22;1-13(2)12-14-8-10-15(11-9-14)19-20-18(21-23-19)16-6-4-5-7-17(16)22-3/h4-5,8-14H,1-3,6-7H2;5-6,9-15H,2-4,7-8H2,1H3;3-10,12H,11H2,1-2H3;4-11,13H,12H2,1-3H3.

What are the key properties of 5-(4-cyclohexylphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-(4-cyclohexylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazole;5-[4-(2-methylpropyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?

5-(4-cyclohexylphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-(4-cyclohexylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazole;5-[4-(2-methylpropyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole has a molecular weight of 1393.54 g/mol, XLogP of 21.92, 18 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-cyclohexylphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-(4-cyclohexylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazole;5-[4-(2-methylpropyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 158518333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).