5-(1,3-benzodioxol-5-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;4-[5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide;5-(3,4-diethoxyphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide

C89H78F3N15O15S2 — CID 161232664

About 5-(1,3-benzodioxol-5-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;4-[5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide;5-(3,4-diethoxyphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide

5-(1,3-benzodioxol-5-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;4-[5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide;5-(3,4-diethoxyphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide (PubChem CID 161232664) has the molecular formula C89H78F3N15O15S2 and a molecular weight of 1718.82 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;4-[5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide;5-(3,4-diethoxyphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: 5-(1,3-benzodioxol-5-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;4-[5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide;5-(3,4-diethoxyphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide
• PubChem CID: 161232664
• Molecular Formula: C89H78F3N15O15S2
• Molecular Weight: 1718.82 g/mol
• Exact Mass: 1717.52
• IUPAC Name: 5-(1,3-benzodioxol-5-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;4-[5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide;5-(3,4-diethoxyphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide
• SMILES: CCOc1ccc(-c2nc(-c3ccccn3)no2)cc1OCC.CCOc1ccc(-c2nc(-c3cccnc3)no2)cc1OCC.NS(=O)(=O)c1ccc(-c2noc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)n2)cc1.NS(=O)(=O)c1ccc(-c2noc(-c3ccc(C4CCCCC4)cc3)n2)cc1.c1cc(-c2noc(-c3ccc4c(c3)OCO4)n2)ccn1
• InChI: InChI=1S/C21H14F3N3O3S.C20H21N3O3S.2C17H17N3O3.C14H9N3O3/c22-21(23,24)18-12-15(8-11-17(18)13-4-2-1-3-5-13)20-26-19(27-30-20)14-6-9-16(10-7-14)31(25,28)29;21-27(24,25)18-12-10-16(11-13-18)19-22-20(26-23-19)17-8-6-15(7-9-17)14-4-2-1-3-5-14;1-3-21-14-8-7-12(10-15(14)22-4-2)17-19-16(20-23-17)13-6-5-9-18-11-13;1-3-21-14-9-8-12(11-15(14)22-4-2)17-19-16(20-23-17)13-7-5-6-10-18-13;1-2-11-12(19-8-18-11)7-10(1)14-16-13(17-20-14)9-3-5-15-6-4-9/h1-12H,(H2,25,28,29);6-14H,1-5H2,(H2,21,24,25);2*5-11H,3-4H2,1-2H3;1-7H,8H2
• InChIKey: UYYPDYINIPMBCG-UHFFFAOYSA-N
• XLogP: 18.55
• TPSA: 408.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 28
• Rotatable Bonds: 22
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1718.82
LogP ≤ 5	18.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;4-[5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide;5-(3,4-diethoxyphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide?

The IUPAC name of 5-(1,3-benzodioxol-5-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;4-[5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide;5-(3,4-diethoxyphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide (CID 161232664) is 5-(1,3-benzodioxol-5-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;4-[5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide;5-(3,4-diethoxyphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide.

What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;4-[5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide;5-(3,4-diethoxyphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide?

The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;4-[5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide;5-(3,4-diethoxyphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide is CCOc1ccc(-c2nc(-c3ccccn3)no2)cc1OCC.CCOc1ccc(-c2nc(-c3cccnc3)no2)cc1OCC.NS(=O)(=O)c1ccc(-c2noc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)n2)cc1.NS(=O)(=O)c1ccc(-c2noc(-c3ccc(C4CCCCC4)cc3)n2)cc1.c1cc(-c2noc(-c3ccc4c(c3)OCO4)n2)ccn1.

What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;4-[5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide;5-(3,4-diethoxyphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide?

The InChIKey is UYYPDYINIPMBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N3O3S.C20H21N3O3S.2C17H17N3O3.C14H9N3O3/c22-21(23,24)18-12-15(8-11-17(18)13-4-2-1-3-5-13)20-26-19(27-30-20)14-6-9-16(10-7-14)31(25,28)29;21-27(24,25)18-12-10-16(11-13-18)19-22-20(26-23-19)17-8-6-15(7-9-17)14-4-2-1-3-5-14;1-3-21-14-8-7-12(10-15(14)22-4-2)17-19-16(20-23-17)13-6-5-9-18-11-13;1-3-21-14-9-8-12(11-15(14)22-4-2)17-19-16(20-23-17)13-7-5-6-10-18-13;1-2-11-12(19-8-18-11)7-10(1)14-16-13(17-20-14)9-3-5-15-6-4-9/h1-12H,(H2,25,28,29);6-14H,1-5H2,(H2,21,24,25);2*5-11H,3-4H2,1-2H3;1-7H,8H2.

What are the key properties of 5-(1,3-benzodioxol-5-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;4-[5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide;5-(3,4-diethoxyphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide?

5-(1,3-benzodioxol-5-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;4-[5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide;5-(3,4-diethoxyphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide has a molecular weight of 1718.82 g/mol, XLogP of 18.55, 22 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1,3-benzodioxol-5-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;4-[5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide;5-(3,4-diethoxyphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 161232664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).