5-(4-cyclohexylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-methyl-4-pyridinyl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole

C111H90F9N21O8 — CID 158447121

About 5-(4-cyclohexylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-methyl-4-pyridinyl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole

5-(4-cyclohexylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-methyl-4-pyridinyl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 158447121) has the molecular formula C111H90F9N21O8 and a molecular weight of 2017.06 g/mol. Its IUPAC name is 5-(4-cyclohexylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-methyl-4-pyridinyl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-(4-cyclohexylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-methyl-4-pyridinyl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole
• PubChem CID: 158447121
• Molecular Formula: C111H90F9N21O8
• Molecular Weight: 2017.06 g/mol
• Exact Mass: 2015.71
• IUPAC Name: 5-(4-cyclohexylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-methyl-4-pyridinyl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole
• SMILES: CCOc1ccc(-c2nc(-c3cncc(C)c3)no2)cc1OCC.CCn1nc(C)cc1-c1nc(-c2ccncc2)no1.Cc1cnccc1-c1noc(-c2ccc(-c3ccccc3)c(C(F)(F)F)c2)n1.FC(F)(F)c1cc(-c2nc(-c3ccncc3)no2)ccc1-c1ccccc1.Nc1cc(-c2noc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)n2)ccn1.c1cc(-c2noc(-c3ccc(C4CCCCC4)cc3)n2)ccn1
• InChI: InChI=1S/C21H14F3N3O.C20H13F3N4O.C20H12F3N3O.C19H19N3O.C18H19N3O3.C13H13N5O/c1-13-12-25-10-9-16(13)19-26-20(28-27-19)15-7-8-17(14-5-3-2-4-6-14)18(11-15)21(22,23)24;21-20(22,23)16-10-14(6-7-15(16)12-4-2-1-3-5-12)19-26-18(27-28-19)13-8-9-25-17(24)11-13;21-20(22,23)17-12-15(6-7-16(17)13-4-2-1-3-5-13)19-25-18(26-27-19)14-8-10-24-11-9-14;1-2-4-14(5-3-1)15-6-8-17(9-7-15)19-21-18(22-23-19)16-10-12-20-13-11-16;1-4-22-15-7-6-13(9-16(15)23-5-2)18-20-17(21-24-18)14-8-12(3)10-19-11-14;1-3-18-11(8-9(2)16-18)13-15-12(17-19-13)10-4-6-14-7-5-10/h2-12H,1H3;1-11H,(H2,24,25);1-12H;6-14H,1-5H2;6-11H,4-5H2,1-3H3;4-8H,3H2,1-2H3
• InChIKey: HDNILZHNMSIHPU-UHFFFAOYSA-N
• XLogP: 27.42
• TPSA: 373.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 29
• Rotatable Bonds: 21
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2017.06
LogP ≤ 5	27.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclohexylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-methyl-4-pyridinyl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole?

The IUPAC name of 5-(4-cyclohexylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-methyl-4-pyridinyl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole (CID 158447121) is 5-(4-cyclohexylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-methyl-4-pyridinyl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole.

What is the SMILES notation for 5-(4-cyclohexylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-methyl-4-pyridinyl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole?

The canonical SMILES for 5-(4-cyclohexylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-methyl-4-pyridinyl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole is CCOc1ccc(-c2nc(-c3cncc(C)c3)no2)cc1OCC.CCn1nc(C)cc1-c1nc(-c2ccncc2)no1.Cc1cnccc1-c1noc(-c2ccc(-c3ccccc3)c(C(F)(F)F)c2)n1.FC(F)(F)c1cc(-c2nc(-c3ccncc3)no2)ccc1-c1ccccc1.Nc1cc(-c2noc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)n2)ccn1.c1cc(-c2noc(-c3ccc(C4CCCCC4)cc3)n2)ccn1.

What is the InChIKey of 5-(4-cyclohexylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-methyl-4-pyridinyl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole?

The InChIKey is HDNILZHNMSIHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N3O.C20H13F3N4O.C20H12F3N3O.C19H19N3O.C18H19N3O3.C13H13N5O/c1-13-12-25-10-9-16(13)19-26-20(28-27-19)15-7-8-17(14-5-3-2-4-6-14)18(11-15)21(22,23)24;21-20(22,23)16-10-14(6-7-15(16)12-4-2-1-3-5-12)19-26-18(27-28-19)13-8-9-25-17(24)11-13;21-20(22,23)17-12-15(6-7-16(17)13-4-2-1-3-5-13)19-25-18(26-27-19)14-8-10-24-11-9-14;1-2-4-14(5-3-1)15-6-8-17(9-7-15)19-21-18(22-23-19)16-10-12-20-13-11-16;1-4-22-15-7-6-13(9-16(15)23-5-2)18-20-17(21-24-18)14-8-12(3)10-19-11-14;1-3-18-11(8-9(2)16-18)13-15-12(17-19-13)10-4-6-14-7-5-10/h2-12H,1H3;1-11H,(H2,24,25);1-12H;6-14H,1-5H2;6-11H,4-5H2,1-3H3;4-8H,3H2,1-2H3.

What are the key properties of 5-(4-cyclohexylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-methyl-4-pyridinyl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole?

5-(4-cyclohexylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-methyl-4-pyridinyl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 2017.06 g/mol, XLogP of 27.42, 21 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-cyclohexylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-methyl-4-pyridinyl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 158447121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).