5-(4-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(2,4-diethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-ethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-[4-methyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole

C97H89F3N18O12 — CID 159877335

About 5-(4-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(2,4-diethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-ethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-[4-methyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole

5-(4-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(2,4-diethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-ethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-[4-methyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 159877335) has the molecular formula C97H89F3N18O12 and a molecular weight of 1755.89 g/mol. Its IUPAC name is 5-(4-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(2,4-diethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-ethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-[4-methyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-(4-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(2,4-diethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-ethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-[4-methyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole
• PubChem CID: 159877335
• Molecular Formula: C97H89F3N18O12
• Molecular Weight: 1755.89 g/mol
• Exact Mass: 1754.69
• IUPAC Name: 5-(4-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(2,4-diethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-ethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-[4-methyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole
• SMILES: CCCCc1ccc(-c2nc(-c3ccncc3)no2)cc1.CCOc1ccc(-c2nc(-c3ccncc3)no2)c(OCC)c1.CCOc1ccc(-c2nc(-c3ccncc3C)no2)cc1OCC.CCOc1cccc(-c2nc(-c3ccncc3)no2)c1.COc1cc(-c2nc(-c3ccncc3)no2)ccc1C.Cc1ccc(-c2nc(-c3ccncc3)no2)cc1C(F)(F)F
• InChI: InChI=1S/C18H19N3O3.C17H17N3O3.C17H17N3O.C15H10F3N3O.2C15H13N3O2/c1-4-22-15-7-6-13(10-16(15)23-5-2)18-20-17(21-24-18)14-8-9-19-11-12(14)3;1-3-21-13-5-6-14(15(11-13)22-4-2)17-19-16(20-23-17)12-7-9-18-10-8-12;1-2-3-4-13-5-7-15(8-6-13)17-19-16(20-21-17)14-9-11-18-12-10-14;1-9-2-3-11(8-12(9)15(16,17)18)14-20-13(21-22-14)10-4-6-19-7-5-10;1-10-3-4-12(9-13(10)19-2)15-17-14(18-20-15)11-5-7-16-8-6-11;1-2-19-13-5-3-4-12(10-13)15-17-14(18-20-15)11-6-8-16-9-7-11/h6-11H,4-5H2,1-3H3;5-11H,3-4H2,1-2H3;5-12H,2-4H2,1H3;2-8H,1H3;3-9H,1-2H3;3-10H,2H2,1H3
• InChIKey: NTBPLADICGTOMP-UHFFFAOYSA-N
• XLogP: 22.08
• TPSA: 366.24 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 26
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1755.89
LogP ≤ 5	22.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

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

The IUPAC name of 5-(4-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(2,4-diethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-ethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-[4-methyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole (CID 159877335) is 5-(4-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(2,4-diethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-ethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-[4-methyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole.

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

The canonical SMILES for 5-(4-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(2,4-diethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-ethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-[4-methyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole is CCCCc1ccc(-c2nc(-c3ccncc3)no2)cc1.CCOc1ccc(-c2nc(-c3ccncc3)no2)c(OCC)c1.CCOc1ccc(-c2nc(-c3ccncc3C)no2)cc1OCC.CCOc1cccc(-c2nc(-c3ccncc3)no2)c1.COc1cc(-c2nc(-c3ccncc3)no2)ccc1C.Cc1ccc(-c2nc(-c3ccncc3)no2)cc1C(F)(F)F.

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

The InChIKey is NTBPLADICGTOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3.C17H17N3O3.C17H17N3O.C15H10F3N3O.2C15H13N3O2/c1-4-22-15-7-6-13(10-16(15)23-5-2)18-20-17(21-24-18)14-8-9-19-11-12(14)3;1-3-21-13-5-6-14(15(11-13)22-4-2)17-19-16(20-23-17)12-7-9-18-10-8-12;1-2-3-4-13-5-7-15(8-6-13)17-19-16(20-21-17)14-9-11-18-12-10-14;1-9-2-3-11(8-12(9)15(16,17)18)14-20-13(21-22-14)10-4-6-19-7-5-10;1-10-3-4-12(9-13(10)19-2)15-17-14(18-20-15)11-5-7-16-8-6-11;1-2-19-13-5-3-4-12(10-13)15-17-14(18-20-15)11-6-8-16-9-7-11/h6-11H,4-5H2,1-3H3;5-11H,3-4H2,1-2H3;5-12H,2-4H2,1H3;2-8H,1H3;3-9H,1-2H3;3-10H,2H2,1H3.

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

5-(4-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(2,4-diethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-ethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-[4-methyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 1755.89 g/mol, XLogP of 22.08, 26 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(2,4-diethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-ethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-[4-methyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 159877335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).