5-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-[3-bromo-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(cyclopentylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1H-indol-4-yl)-1,2,4-oxadiazole;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole

C101H92BrF9N18O8 — CID 158370461

About 5-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-[3-bromo-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(cyclopentylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1H-indol-4-yl)-1,2,4-oxadiazole;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole

5-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-[3-bromo-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(cyclopentylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1H-indol-4-yl)-1,2,4-oxadiazole;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 158370461) has the molecular formula C101H92BrF9N18O8 and a molecular weight of 1936.85 g/mol. Its IUPAC name is 5-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-[3-bromo-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(cyclopentylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1H-indol-4-yl)-1,2,4-oxadiazole;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-[3-bromo-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(cyclopentylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1H-indol-4-yl)-1,2,4-oxadiazole;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
• PubChem CID: 158370461
• Molecular Formula: C101H92BrF9N18O8
• Molecular Weight: 1936.85 g/mol
• Exact Mass: 1934.64
• IUPAC Name: 5-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-[3-bromo-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(cyclopentylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1H-indol-4-yl)-1,2,4-oxadiazole;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
• SMILES: CC(C)Cc1ccc(C(C)c2nc(-c3ccncc3)no2)cc1.CCOc1ccc(-c2nc(-c3cccc4[nH]ccc34)no2)cc1OCC.Cc1cnccc1-c1noc(C(C)c2ccc(CC(C)C)cc2)n1.FC(F)(F)c1cc(-c2nc(-c3ccncc3)no2)cc(C(F)(F)F)c1.FC(F)(F)c1cc(Br)cc(-c2nc(-c3ccncc3)no2)c1.c1cc(-c2noc(CC3CCCC3)n2)ccn1
• InChI: InChI=1S/C20H19N3O3.C20H23N3O.C19H21N3O.C15H7F6N3O.C14H7BrF3N3O.C13H15N3O/c1-3-24-17-9-8-13(12-18(17)25-4-2)20-22-19(23-26-20)15-6-5-7-16-14(15)10-11-21-16;1-13(2)11-16-5-7-17(8-6-16)15(4)20-22-19(23-24-20)18-9-10-21-12-14(18)3;1-13(2)12-15-4-6-16(7-5-15)14(3)19-21-18(22-23-19)17-8-10-20-11-9-17;16-14(17,18)10-5-9(6-11(7-10)15(19,20)21)13-23-12(24-25-13)8-1-3-22-4-2-8;15-11-6-9(5-10(7-11)14(16,17)18)13-20-12(21-22-13)8-1-3-19-4-2-8;1-2-4-10(3-1)9-12-15-13(16-17-12)11-5-7-14-8-6-11/h5-12,21H,3-4H2,1-2H3;5-10,12-13,15H,11H2,1-4H3;4-11,13-14H,12H2,1-3H3;1-7H;1-7H;5-8,10H,1-4,9H2
• InChIKey: GUNWNTKDMKITNJ-UHFFFAOYSA-N
• XLogP: 26.23
• TPSA: 332.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 25
• Rotatable Bonds: 23
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1936.85
LogP ≤ 5	26.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 5-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-[3-bromo-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(cyclopentylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1H-indol-4-yl)-1,2,4-oxadiazole;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole?

The IUPAC name of 5-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-[3-bromo-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(cyclopentylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1H-indol-4-yl)-1,2,4-oxadiazole;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole (CID 158370461) is 5-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-[3-bromo-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(cyclopentylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1H-indol-4-yl)-1,2,4-oxadiazole;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole.

What is the SMILES notation for 5-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-[3-bromo-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(cyclopentylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1H-indol-4-yl)-1,2,4-oxadiazole;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole?

The canonical SMILES for 5-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-[3-bromo-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(cyclopentylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1H-indol-4-yl)-1,2,4-oxadiazole;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole is CC(C)Cc1ccc(C(C)c2nc(-c3ccncc3)no2)cc1.CCOc1ccc(-c2nc(-c3cccc4[nH]ccc34)no2)cc1OCC.Cc1cnccc1-c1noc(C(C)c2ccc(CC(C)C)cc2)n1.FC(F)(F)c1cc(-c2nc(-c3ccncc3)no2)cc(C(F)(F)F)c1.FC(F)(F)c1cc(Br)cc(-c2nc(-c3ccncc3)no2)c1.c1cc(-c2noc(CC3CCCC3)n2)ccn1.

What is the InChIKey of 5-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-[3-bromo-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(cyclopentylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1H-indol-4-yl)-1,2,4-oxadiazole;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole?

The InChIKey is GUNWNTKDMKITNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3.C20H23N3O.C19H21N3O.C15H7F6N3O.C14H7BrF3N3O.C13H15N3O/c1-3-24-17-9-8-13(12-18(17)25-4-2)20-22-19(23-26-20)15-6-5-7-16-14(15)10-11-21-16;1-13(2)11-16-5-7-17(8-6-16)15(4)20-22-19(23-24-20)18-9-10-21-12-14(18)3;1-13(2)12-15-4-6-16(7-5-15)14(3)19-21-18(22-23-19)17-8-10-20-11-9-17;16-14(17,18)10-5-9(6-11(7-10)15(19,20)21)13-23-12(24-25-13)8-1-3-22-4-2-8;15-11-6-9(5-10(7-11)14(16,17)18)13-20-12(21-22-13)8-1-3-19-4-2-8;1-2-4-10(3-1)9-12-15-13(16-17-12)11-5-7-14-8-6-11/h5-12,21H,3-4H2,1-2H3;5-10,12-13,15H,11H2,1-4H3;4-11,13-14H,12H2,1-3H3;1-7H;1-7H;5-8,10H,1-4,9H2.

What are the key properties of 5-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-[3-bromo-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(cyclopentylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1H-indol-4-yl)-1,2,4-oxadiazole;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole?

5-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-[3-bromo-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(cyclopentylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1H-indol-4-yl)-1,2,4-oxadiazole;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 1936.85 g/mol, XLogP of 26.23, 23 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-[3-bromo-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(cyclopentylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1H-indol-4-yl)-1,2,4-oxadiazole;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 158370461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).