5-(3,4-dimethylphenyl)-3-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole;bis(5-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole);5-(3,4-dimethylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;bis(4-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine);5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole

C123H112N26O8 — CID 158612306

About 5-(3,4-dimethylphenyl)-3-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole;bis(5-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole);5-(3,4-dimethylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;bis(4-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine);5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole

5-(3,4-dimethylphenyl)-3-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole;bis(5-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole);5-(3,4-dimethylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;bis(4-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine);5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 158612306) has the molecular formula C123H112N26O8 and a molecular weight of 2082.42 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-3-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole;bis(5-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole);5-(3,4-dimethylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;bis(4-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine);5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-(3,4-dimethylphenyl)-3-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole;bis(5-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole);5-(3,4-dimethylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;bis(4-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine);5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole
• PubChem CID: 158612306
• Molecular Formula: C123H112N26O8
• Molecular Weight: 2082.42 g/mol
• Exact Mass: 2080.92
• IUPAC Name: 5-(3,4-dimethylphenyl)-3-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole;bis(5-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole);5-(3,4-dimethylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;bis(4-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine);5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole
• SMILES: Cc1cc(-c2noc(-c3ccc(C)c(C)c3)n2)ccn1.Cc1ccc(-c2nc(-c3cccnc3)no2)cc1C.Cc1ccc(-c2nc(-c3ccnc(N)c3)no2)cc1C.Cc1ccc(-c2nc(-c3ccnc(N)c3)no2)cc1C.Cc1ccc(-c2nc(-c3ccncc3C)no2)cc1C.Cc1ccc(-c2nc(-c3ccncc3C)no2)cc1C.Cc1cccc(-c2nc(-c3cccnc3)no2)c1.Cc1cncc(-c2noc(-c3ccc(C)c(C)c3)n2)c1
• InChI: InChI=1S/4C16H15N3O.2C15H14N4O.C15H13N3O.C14H11N3O/c1-10-6-14(9-17-8-10)15-18-16(20-19-15)13-5-4-11(2)12(3)7-13;1-10-4-5-14(8-11(10)2)16-18-15(19-20-16)13-6-7-17-12(3)9-13;2*1-10-4-5-13(8-11(10)2)16-18-15(19-20-16)14-6-7-17-9-12(14)3;2*1-9-3-4-12(7-10(9)2)15-18-14(19-20-15)11-5-6-17-13(16)8-11;1-10-5-6-12(8-11(10)2)15-17-14(18-19-15)13-4-3-7-16-9-13;1-10-4-2-5-11(8-10)14-16-13(17-18-14)12-6-3-7-15-9-12/h4*4-9H,1-3H3;2*3-8H,1-2H3,(H2,16,17);3-9H,1-2H3;2-9H,1H3
• InChIKey: HWZFQTLBUVWLOO-UHFFFAOYSA-N
• XLogP: 27.41
• TPSA: 466.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 34
• Rotatable Bonds: 16
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2082.42
LogP ≤ 5	27.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-3-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole;bis(5-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole);5-(3,4-dimethylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;bis(4-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine);5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole?

The IUPAC name of 5-(3,4-dimethylphenyl)-3-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole;bis(5-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole);5-(3,4-dimethylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;bis(4-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine);5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole (CID 158612306) is 5-(3,4-dimethylphenyl)-3-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole;bis(5-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole);5-(3,4-dimethylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;bis(4-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine);5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole.

What is the SMILES notation for 5-(3,4-dimethylphenyl)-3-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole;bis(5-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole);5-(3,4-dimethylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;bis(4-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine);5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole?

The canonical SMILES for 5-(3,4-dimethylphenyl)-3-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole;bis(5-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole);5-(3,4-dimethylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;bis(4-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine);5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole is Cc1cc(-c2noc(-c3ccc(C)c(C)c3)n2)ccn1.Cc1ccc(-c2nc(-c3cccnc3)no2)cc1C.Cc1ccc(-c2nc(-c3ccnc(N)c3)no2)cc1C.Cc1ccc(-c2nc(-c3ccnc(N)c3)no2)cc1C.Cc1ccc(-c2nc(-c3ccncc3C)no2)cc1C.Cc1ccc(-c2nc(-c3ccncc3C)no2)cc1C.Cc1cccc(-c2nc(-c3cccnc3)no2)c1.Cc1cncc(-c2noc(-c3ccc(C)c(C)c3)n2)c1.

What is the InChIKey of 5-(3,4-dimethylphenyl)-3-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole;bis(5-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole);5-(3,4-dimethylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;bis(4-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine);5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole?

The InChIKey is HWZFQTLBUVWLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/4C16H15N3O.2C15H14N4O.C15H13N3O.C14H11N3O/c1-10-6-14(9-17-8-10)15-18-16(20-19-15)13-5-4-11(2)12(3)7-13;1-10-4-5-14(8-11(10)2)16-18-15(19-20-16)13-6-7-17-12(3)9-13;2*1-10-4-5-13(8-11(10)2)16-18-15(19-20-16)14-6-7-17-9-12(14)3;2*1-9-3-4-12(7-10(9)2)15-18-14(19-20-15)11-5-6-17-13(16)8-11;1-10-5-6-12(8-11(10)2)15-17-14(18-19-15)13-4-3-7-16-9-13;1-10-4-2-5-11(8-10)14-16-13(17-18-14)12-6-3-7-15-9-12/h4*4-9H,1-3H3;2*3-8H,1-2H3,(H2,16,17);3-9H,1-2H3;2-9H,1H3.

What are the key properties of 5-(3,4-dimethylphenyl)-3-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole;bis(5-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole);5-(3,4-dimethylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;bis(4-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine);5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole?

5-(3,4-dimethylphenyl)-3-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole;bis(5-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole);5-(3,4-dimethylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;bis(4-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine);5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 2082.42 g/mol, XLogP of 27.41, 16 rotatable bonds, 2 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,4-dimethylphenyl)-3-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole;bis(5-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole);5-(3,4-dimethylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;bis(4-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine);5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 158612306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).