5-benzyl-3-pyridin-4-yl-1,2,4-oxadiazole;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,5-dimethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-phenyl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole

C116H103F3N20O17S — CID 159230664

About 5-benzyl-3-pyridin-4-yl-1,2,4-oxadiazole;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,5-dimethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-phenyl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole

5-benzyl-3-pyridin-4-yl-1,2,4-oxadiazole;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,5-dimethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-phenyl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole (PubChem CID 159230664) has the molecular formula C116H103F3N20O17S and a molecular weight of 2138.28 g/mol. Its IUPAC name is 5-benzyl-3-pyridin-4-yl-1,2,4-oxadiazole;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,5-dimethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-phenyl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-benzyl-3-pyridin-4-yl-1,2,4-oxadiazole;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,5-dimethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-phenyl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole
• PubChem CID: 159230664
• Molecular Formula: C116H103F3N20O17S
• Molecular Weight: 2138.28 g/mol
• Exact Mass: 2136.75
• IUPAC Name: 5-benzyl-3-pyridin-4-yl-1,2,4-oxadiazole;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,5-dimethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-phenyl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole
• SMILES: CCOc1ccc(-c2nc(-c3ccccn3)no2)cc1OCC.CCOc1ccc(-c2nc(-c3cccnc3)no2)cc1OCC.CCOc1ccc(-c2nc(-c3ccncc3)no2)cc1OCC.CCOc1ccc(-c2nnc(-c3ccncc3)o2)cc1OCC.COc1cc(OC)cc(-c2nc(-c3ccncc3)no2)c1.FC(F)(F)c1sc(-c2nc(-c3ccccc3)no2)cc1-c1ccccc1.c1ccc(Cc2nc(-c3ccncc3)no2)cc1
• InChI: InChI=1S/C19H11F3N2OS.4C17H17N3O3.C15H13N3O3.C14H11N3O/c20-19(21,22)16-14(12-7-3-1-4-8-12)11-15(26-16)18-23-17(24-25-18)13-9-5-2-6-10-13;1-3-21-14-6-5-13(11-15(14)22-4-2)17-20-19-16(23-17)12-7-9-18-10-8-12;1-3-21-14-6-5-13(11-15(14)22-4-2)17-19-16(20-23-17)12-7-9-18-10-8-12;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;1-19-12-7-11(8-13(9-12)20-2)15-17-14(18-21-15)10-3-5-16-6-4-10;1-2-4-11(5-3-1)10-13-16-14(17-18-13)12-6-8-15-9-7-12/h1-11H;4*5-11H,3-4H2,1-2H3;3-9H,1-2H3;1-9H,10H2
• InChIKey: KSVWEUVVPLXPLR-UHFFFAOYSA-N
• XLogP: 26.07
• TPSA: 442.08 Ų
• H-Bond Acceptors: 38
• Rotatable Bonds: 34
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2138.28
LogP ≤ 5	26.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-pyridin-4-yl-1,2,4-oxadiazole;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,5-dimethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-phenyl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole?

The IUPAC name of 5-benzyl-3-pyridin-4-yl-1,2,4-oxadiazole;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,5-dimethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-phenyl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole (CID 159230664) is 5-benzyl-3-pyridin-4-yl-1,2,4-oxadiazole;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,5-dimethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-phenyl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole.

What is the SMILES notation for 5-benzyl-3-pyridin-4-yl-1,2,4-oxadiazole;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,5-dimethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-phenyl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole?

The canonical SMILES for 5-benzyl-3-pyridin-4-yl-1,2,4-oxadiazole;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,5-dimethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-phenyl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole is CCOc1ccc(-c2nc(-c3ccccn3)no2)cc1OCC.CCOc1ccc(-c2nc(-c3cccnc3)no2)cc1OCC.CCOc1ccc(-c2nc(-c3ccncc3)no2)cc1OCC.CCOc1ccc(-c2nnc(-c3ccncc3)o2)cc1OCC.COc1cc(OC)cc(-c2nc(-c3ccncc3)no2)c1.FC(F)(F)c1sc(-c2nc(-c3ccccc3)no2)cc1-c1ccccc1.c1ccc(Cc2nc(-c3ccncc3)no2)cc1.

What is the InChIKey of 5-benzyl-3-pyridin-4-yl-1,2,4-oxadiazole;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,5-dimethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-phenyl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole?

The InChIKey is KSVWEUVVPLXPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3N2OS.4C17H17N3O3.C15H13N3O3.C14H11N3O/c20-19(21,22)16-14(12-7-3-1-4-8-12)11-15(26-16)18-23-17(24-25-18)13-9-5-2-6-10-13;1-3-21-14-6-5-13(11-15(14)22-4-2)17-20-19-16(23-17)12-7-9-18-10-8-12;1-3-21-14-6-5-13(11-15(14)22-4-2)17-19-16(20-23-17)12-7-9-18-10-8-12;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;1-19-12-7-11(8-13(9-12)20-2)15-17-14(18-21-15)10-3-5-16-6-4-10;1-2-4-11(5-3-1)10-13-16-14(17-18-13)12-6-8-15-9-7-12/h1-11H;4*5-11H,3-4H2,1-2H3;3-9H,1-2H3;1-9H,10H2.

What are the key properties of 5-benzyl-3-pyridin-4-yl-1,2,4-oxadiazole;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,5-dimethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-phenyl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole?

5-benzyl-3-pyridin-4-yl-1,2,4-oxadiazole;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,5-dimethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-phenyl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole has a molecular weight of 2138.28 g/mol, XLogP of 26.07, 34 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 5-benzyl-3-pyridin-4-yl-1,2,4-oxadiazole;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,5-dimethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-phenyl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 159230664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).