2-[4,6-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(furan-2-ylmethyl)acetamide

C23H22N4O4 — CID 46355368

About 2-[4,6-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(furan-2-ylmethyl)acetamide

2-[4,6-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 46355368) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is 2-[4,6-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-[4,6-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(furan-2-ylmethyl)acetamide
• PubChem CID: 46355368
• Molecular Formula: C23H22N4O4
• Molecular Weight: 418.45 g/mol
• Exact Mass: 418.16
• IUPAC Name: 2-[4,6-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(furan-2-ylmethyl)acetamide
• SMILES: Cc1ccc(-c2noc(-c3c(C)cc(C)n(CC(=O)NCc4ccco4)c3=O)n2)cc1
• InChI: InChI=1S/C23H22N4O4/c1-14-6-8-17(9-7-14)21-25-22(31-26-21)20-15(2)11-16(3)27(23(20)29)13-19(28)24-12-18-5-4-10-30-18/h4-11H,12-13H2,1-3H3,(H,24,28)
• InChIKey: ZISOFFVUIXGOGG-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 103.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.45
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[4,6-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(furan-2-ylmethyl)acetamide?

The IUPAC name of 2-[4,6-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(furan-2-ylmethyl)acetamide (CID 46355368) is 2-[4,6-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(furan-2-ylmethyl)acetamide.

What is the SMILES notation for 2-[4,6-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(furan-2-ylmethyl)acetamide?

The canonical SMILES for 2-[4,6-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(furan-2-ylmethyl)acetamide is Cc1ccc(-c2noc(-c3c(C)cc(C)n(CC(=O)NCc4ccco4)c3=O)n2)cc1.

What is the InChIKey of 2-[4,6-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(furan-2-ylmethyl)acetamide?

The InChIKey is ZISOFFVUIXGOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4/c1-14-6-8-17(9-7-14)21-25-22(31-26-21)20-15(2)11-16(3)27(23(20)29)13-19(28)24-12-18-5-4-10-30-18/h4-11H,12-13H2,1-3H3,(H,24,28).

What are the key properties of 2-[4,6-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(furan-2-ylmethyl)acetamide?

2-[4,6-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 418.45 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4,6-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 46355368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).