5-(1,3-benzodioxol-5-yl)-3-pyridin-4-yl-1,2,4-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-(4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(4-methylphenyl)-5-pyridin-3-yl-1,2,4-oxadiazole;5-[4-(2-methylpropoxy)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-propoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-pyridin-4-yl-5-(2,4,5-trimethoxyphenyl)-1,2,4-oxadiazole

C125H112N24O20 — CID 158995456

About 5-(1,3-benzodioxol-5-yl)-3-pyridin-4-yl-1,2,4-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-(4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(4-methylphenyl)-5-pyridin-3-yl-1,2,4-oxadiazole;5-[4-(2-methylpropoxy)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-propoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-pyridin-4-yl-5-(2,4,5-trimethoxyphenyl)-1,2,4-oxadiazole

5-(1,3-benzodioxol-5-yl)-3-pyridin-4-yl-1,2,4-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-(4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(4-methylphenyl)-5-pyridin-3-yl-1,2,4-oxadiazole;5-[4-(2-methylpropoxy)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-propoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-pyridin-4-yl-5-(2,4,5-trimethoxyphenyl)-1,2,4-oxadiazole (PubChem CID 158995456) has the molecular formula C125H112N24O20 and a molecular weight of 2270.42 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-3-pyridin-4-yl-1,2,4-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-(4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(4-methylphenyl)-5-pyridin-3-yl-1,2,4-oxadiazole;5-[4-(2-methylpropoxy)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-propoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-pyridin-4-yl-5-(2,4,5-trimethoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-(1,3-benzodioxol-5-yl)-3-pyridin-4-yl-1,2,4-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-(4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(4-methylphenyl)-5-pyridin-3-yl-1,2,4-oxadiazole;5-[4-(2-methylpropoxy)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-propoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-pyridin-4-yl-5-(2,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
• PubChem CID: 158995456
• Molecular Formula: C125H112N24O20
• Molecular Weight: 2270.42 g/mol
• Exact Mass: 2268.85
• IUPAC Name: 5-(1,3-benzodioxol-5-yl)-3-pyridin-4-yl-1,2,4-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-(4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(4-methylphenyl)-5-pyridin-3-yl-1,2,4-oxadiazole;5-[4-(2-methylpropoxy)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-propoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-pyridin-4-yl-5-(2,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
• SMILES: CC(C)COc1ccc(-c2nc(-c3ccncc3)no2)cc1.CCCOc1ccc(-c2nc(-c3ccncc3)no2)cc1.CCOc1ccc(-c2nc(-c3ccccn3)no2)cc1OCC.CCOc1ccc(-c2nc(-c3cccnc3)no2)cc1OCC.COc1cc(OC)c(-c2nc(-c3ccncc3)no2)cc1OC.COc1ccc(-c2nc(-c3ccncc3)no2)cc1.Cc1ccc(-c2noc(-c3cccnc3)n2)cc1.c1cc(-c2noc(-c3ccc4c(c3)OCO4)n2)ccn1
• InChI: InChI=1S/2C17H17N3O3.C17H17N3O2.C16H15N3O4.C16H15N3O2.C14H9N3O3.C14H11N3O2.C14H11N3O/c1-3-21-14-8-7-12(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;1-12(2)11-21-15-5-3-14(4-6-15)17-19-16(20-22-17)13-7-9-18-10-8-13;1-20-12-9-14(22-3)13(21-2)8-11(12)16-18-15(19-23-16)10-4-6-17-7-5-10;1-2-11-20-14-5-3-13(4-6-14)16-18-15(19-21-16)12-7-9-17-10-8-12;1-2-11-12(19-8-18-11)7-10(1)14-16-13(17-20-14)9-3-5-15-6-4-9;1-18-12-4-2-11(3-5-12)14-16-13(17-19-14)10-6-8-15-9-7-10;1-10-4-6-11(7-5-10)13-16-14(18-17-13)12-3-2-8-15-9-12/h2*5-11H,3-4H2,1-2H3;3-10,12H,11H2,1-2H3;4-9H,1-3H3;3-10H,2,11H2,1H3;1-7H,8H2;2-9H,1H3;2-9H,1H3
• InChIKey: JQRLSHSAKMAAID-UHFFFAOYSA-N
• XLogP: 25.88
• TPSA: 525.24 Ų
• H-Bond Acceptors: 44
• Rotatable Bonds: 34
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2270.42
LogP ≤ 5	25.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-3-pyridin-4-yl-1,2,4-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-(4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(4-methylphenyl)-5-pyridin-3-yl-1,2,4-oxadiazole;5-[4-(2-methylpropoxy)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-propoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-pyridin-4-yl-5-(2,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?

The IUPAC name of 5-(1,3-benzodioxol-5-yl)-3-pyridin-4-yl-1,2,4-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-(4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(4-methylphenyl)-5-pyridin-3-yl-1,2,4-oxadiazole;5-[4-(2-methylpropoxy)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-propoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-pyridin-4-yl-5-(2,4,5-trimethoxyphenyl)-1,2,4-oxadiazole (CID 158995456) is 5-(1,3-benzodioxol-5-yl)-3-pyridin-4-yl-1,2,4-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-(4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(4-methylphenyl)-5-pyridin-3-yl-1,2,4-oxadiazole;5-[4-(2-methylpropoxy)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-propoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-pyridin-4-yl-5-(2,4,5-trimethoxyphenyl)-1,2,4-oxadiazole.

What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-3-pyridin-4-yl-1,2,4-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-(4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(4-methylphenyl)-5-pyridin-3-yl-1,2,4-oxadiazole;5-[4-(2-methylpropoxy)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-propoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-pyridin-4-yl-5-(2,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?

The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-3-pyridin-4-yl-1,2,4-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-(4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(4-methylphenyl)-5-pyridin-3-yl-1,2,4-oxadiazole;5-[4-(2-methylpropoxy)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-propoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-pyridin-4-yl-5-(2,4,5-trimethoxyphenyl)-1,2,4-oxadiazole is CC(C)COc1ccc(-c2nc(-c3ccncc3)no2)cc1.CCCOc1ccc(-c2nc(-c3ccncc3)no2)cc1.CCOc1ccc(-c2nc(-c3ccccn3)no2)cc1OCC.CCOc1ccc(-c2nc(-c3cccnc3)no2)cc1OCC.COc1cc(OC)c(-c2nc(-c3ccncc3)no2)cc1OC.COc1ccc(-c2nc(-c3ccncc3)no2)cc1.Cc1ccc(-c2noc(-c3cccnc3)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;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-(4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(4-methylphenyl)-5-pyridin-3-yl-1,2,4-oxadiazole;5-[4-(2-methylpropoxy)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-propoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-pyridin-4-yl-5-(2,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?

The InChIKey is JQRLSHSAKMAAID-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H17N3O3.C17H17N3O2.C16H15N3O4.C16H15N3O2.C14H9N3O3.C14H11N3O2.C14H11N3O/c1-3-21-14-8-7-12(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;1-12(2)11-21-15-5-3-14(4-6-15)17-19-16(20-22-17)13-7-9-18-10-8-13;1-20-12-9-14(22-3)13(21-2)8-11(12)16-18-15(19-23-16)10-4-6-17-7-5-10;1-2-11-20-14-5-3-13(4-6-14)16-18-15(19-21-16)12-7-9-17-10-8-12;1-2-11-12(19-8-18-11)7-10(1)14-16-13(17-20-14)9-3-5-15-6-4-9;1-18-12-4-2-11(3-5-12)14-16-13(17-19-14)10-6-8-15-9-7-10;1-10-4-6-11(7-5-10)13-16-14(18-17-13)12-3-2-8-15-9-12/h2*5-11H,3-4H2,1-2H3;3-10,12H,11H2,1-2H3;4-9H,1-3H3;3-10H,2,11H2,1H3;1-7H,8H2;2-9H,1H3;2-9H,1H3.

What are the key properties of 5-(1,3-benzodioxol-5-yl)-3-pyridin-4-yl-1,2,4-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-(4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(4-methylphenyl)-5-pyridin-3-yl-1,2,4-oxadiazole;5-[4-(2-methylpropoxy)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-propoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-pyridin-4-yl-5-(2,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?

5-(1,3-benzodioxol-5-yl)-3-pyridin-4-yl-1,2,4-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-(4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(4-methylphenyl)-5-pyridin-3-yl-1,2,4-oxadiazole;5-[4-(2-methylpropoxy)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-propoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-pyridin-4-yl-5-(2,4,5-trimethoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 2270.42 g/mol, XLogP of 25.88, 34 rotatable bonds, 0 hydrogen bond donors, and 44 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;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-(4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(4-methylphenyl)-5-pyridin-3-yl-1,2,4-oxadiazole;5-[4-(2-methylpropoxy)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-propoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-pyridin-4-yl-5-(2,4,5-trimethoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 158995456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).