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(5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole)

C62H56N12O4 — CID 159673647

About 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(5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole)

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(5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole) (PubChem CID 159673647) has the molecular formula C62H56N12O4 and a molecular weight of 1033.21 g/mol. Its IUPAC name is 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(5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole).

Molecular Properties

• Compound Name: 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(5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole)
• PubChem CID: 159673647
• Molecular Formula: C62H56N12O4
• Molecular Weight: 1033.21 g/mol
• Exact Mass: 1032.45
• IUPAC Name: 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(5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole)
• SMILES: Cc1ccc(-c2nc(-c3cccnc3)no2)cc1C.Cc1ccc(-c2nc(-c3cccnc3)no2)cc1C.Cc1ccc(-c2nc(-c3ccncc3C)no2)cc1C.Cc1cncc(-c2noc(-c3ccc(C)c(C)c3)n2)c1
• InChI: InChI=1S/2C16H15N3O.2C15H13N3O/c1-10-6-14(9-17-8-10)15-18-16(20-19-15)13-5-4-11(2)12(3)7-13;1-10-4-5-13(8-11(10)2)16-18-15(19-20-16)14-6-7-17-9-12(14)3;2*1-10-5-6-12(8-11(10)2)15-17-14(18-19-15)13-4-3-7-16-9-13/h2*4-9H,1-3H3;2*3-9H,1-2H3
• InChIKey: MUHWPROTVNFMHB-UHFFFAOYSA-N
• XLogP: 14.28
• TPSA: 207.24 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1033.21
LogP ≤ 5	14.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 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(5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole)?

The IUPAC name of 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(5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole) (CID 159673647) is 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(5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole).

What is the SMILES notation for 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(5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole)?

The canonical SMILES for 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(5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole) is Cc1ccc(-c2nc(-c3cccnc3)no2)cc1C.Cc1ccc(-c2nc(-c3cccnc3)no2)cc1C.Cc1ccc(-c2nc(-c3ccncc3C)no2)cc1C.Cc1cncc(-c2noc(-c3ccc(C)c(C)c3)n2)c1.

What is the InChIKey of 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(5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole)?

The InChIKey is MUHWPROTVNFMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H15N3O.2C15H13N3O/c1-10-6-14(9-17-8-10)15-18-16(20-19-15)13-5-4-11(2)12(3)7-13;1-10-4-5-13(8-11(10)2)16-18-15(19-20-16)14-6-7-17-9-12(14)3;2*1-10-5-6-12(8-11(10)2)15-17-14(18-19-15)13-4-3-7-16-9-13/h2*4-9H,1-3H3;2*3-9H,1-2H3.

What are the key properties of 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(5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole)?

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(5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole) has a molecular weight of 1033.21 g/mol, XLogP of 14.28, 8 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 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(5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole) is sourced from PubChem (CID 159673647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).