5-(4-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-cyclopentyloxy-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,5-ditert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-ethoxy-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-ethoxy-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol;5-[4-methyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole

C103H99F3N18O12 — CID 158392390

About 5-(4-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-cyclopentyloxy-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,5-ditert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-ethoxy-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-ethoxy-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol;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-cyclopentyloxy-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,5-ditert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-ethoxy-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-ethoxy-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol;5-[4-methyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 158392390) has the molecular formula C103H99F3N18O12 and a molecular weight of 1838.03 g/mol. Its IUPAC name is 5-(4-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-cyclopentyloxy-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,5-ditert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-ethoxy-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-ethoxy-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol;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-cyclopentyloxy-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,5-ditert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-ethoxy-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-ethoxy-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol;5-[4-methyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole
• PubChem CID: 158392390
• Molecular Formula: C103H99F3N18O12
• Molecular Weight: 1838.03 g/mol
• Exact Mass: 1836.76
• IUPAC Name: 5-(4-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-cyclopentyloxy-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,5-ditert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-ethoxy-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-ethoxy-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol;5-[4-methyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole
• SMILES: CC(C)(C)c1cc(-c2nc(-c3ccncc3)no2)cc(C(C)(C)C)c1.CCCCc1ccc(-c2nc(-c3ccncc3)no2)cc1.CCOc1cc(-c2nc(-c3ccncc3)no2)ccc1OC.CCOc1ccc(-c2nc(-c3ccncc3)no2)c(O)c1.COc1ccc(-c2nc(-c3ccncc3)no2)cc1OC1CCCC1.Cc1ccc(-c2nc(-c3ccncc3)no2)cc1C(F)(F)F
• InChI: InChI=1S/C21H25N3O.C19H19N3O3.C17H17N3O.C16H15N3O3.C15H10F3N3O.C15H13N3O3/c1-20(2,3)16-11-15(12-17(13-16)21(4,5)6)19-23-18(24-25-19)14-7-9-22-10-8-14;1-23-16-7-6-14(12-17(16)24-15-4-2-3-5-15)19-21-18(22-25-19)13-8-10-20-11-9-13;1-2-3-4-13-5-7-15(8-6-13)17-19-16(20-21-17)14-9-11-18-12-10-14;1-3-21-14-10-12(4-5-13(14)20-2)16-18-15(19-22-16)11-6-8-17-9-7-11;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;1-2-20-11-3-4-12(13(19)9-11)15-17-14(18-21-15)10-5-7-16-8-6-10/h7-13H,1-6H3;6-12,15H,2-5H2,1H3;5-12H,2-4H2,1H3;4-10H,3H2,1-2H3;2-8H,1H3;3-9,19H,2H2,1H3
• InChIKey: GXCVDZQFNQIOTD-UHFFFAOYSA-N
• XLogP: 23.90
• TPSA: 377.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 30
• Rotatable Bonds: 23
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1838.03
LogP ≤ 5	23.90
H-Bond Donors ≤ 5	1
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-cyclopentyloxy-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,5-ditert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-ethoxy-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-ethoxy-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol;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-cyclopentyloxy-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,5-ditert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-ethoxy-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-ethoxy-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol;5-[4-methyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole (CID 158392390) is 5-(4-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-cyclopentyloxy-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,5-ditert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-ethoxy-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-ethoxy-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol;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-cyclopentyloxy-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,5-ditert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-ethoxy-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-ethoxy-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol;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-cyclopentyloxy-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,5-ditert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-ethoxy-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-ethoxy-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol;5-[4-methyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole is CC(C)(C)c1cc(-c2nc(-c3ccncc3)no2)cc(C(C)(C)C)c1.CCCCc1ccc(-c2nc(-c3ccncc3)no2)cc1.CCOc1cc(-c2nc(-c3ccncc3)no2)ccc1OC.CCOc1ccc(-c2nc(-c3ccncc3)no2)c(O)c1.COc1ccc(-c2nc(-c3ccncc3)no2)cc1OC1CCCC1.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-cyclopentyloxy-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,5-ditert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-ethoxy-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-ethoxy-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol;5-[4-methyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole?

The InChIKey is GXCVDZQFNQIOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O.C19H19N3O3.C17H17N3O.C16H15N3O3.C15H10F3N3O.C15H13N3O3/c1-20(2,3)16-11-15(12-17(13-16)21(4,5)6)19-23-18(24-25-19)14-7-9-22-10-8-14;1-23-16-7-6-14(12-17(16)24-15-4-2-3-5-15)19-21-18(22-25-19)13-8-10-20-11-9-13;1-2-3-4-13-5-7-15(8-6-13)17-19-16(20-21-17)14-9-11-18-12-10-14;1-3-21-14-10-12(4-5-13(14)20-2)16-18-15(19-22-16)11-6-8-17-9-7-11;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;1-2-20-11-3-4-12(13(19)9-11)15-17-14(18-21-15)10-5-7-16-8-6-10/h7-13H,1-6H3;6-12,15H,2-5H2,1H3;5-12H,2-4H2,1H3;4-10H,3H2,1-2H3;2-8H,1H3;3-9,19H,2H2,1H3.

What are the key properties of 5-(4-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-cyclopentyloxy-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,5-ditert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-ethoxy-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-ethoxy-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol;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-cyclopentyloxy-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,5-ditert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-ethoxy-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-ethoxy-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol;5-[4-methyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 1838.03 g/mol, XLogP of 23.90, 23 rotatable bonds, 1 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-cyclopentyloxy-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,5-ditert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-ethoxy-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-ethoxy-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol;5-[4-methyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 158392390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).