2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-[(4-methylphenyl)methyl]benzamide

C24H22N4O4 — CID 55555220

About 2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-[(4-methylphenyl)methyl]benzamide

2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 55555220) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is 2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

• Compound Name: 2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-[(4-methylphenyl)methyl]benzamide
• PubChem CID: 55555220
• Molecular Formula: C24H22N4O4
• Molecular Weight: 430.46 g/mol
• Exact Mass: 430.16
• IUPAC Name: 2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-[(4-methylphenyl)methyl]benzamide
• SMILES: Cc1ccc(CNC(=O)c2ccccc2NC(=O)CCc2nc(-c3ccco3)no2)cc1
• InChI: InChI=1S/C24H22N4O4/c1-16-8-10-17(11-9-16)15-25-24(30)18-5-2-3-6-19(18)26-21(29)12-13-22-27-23(28-32-22)20-7-4-14-31-20/h2-11,14H,12-13,15H2,1H3,(H,25,30)(H,26,29)
• InChIKey: PZTMTUZSVRASBC-UHFFFAOYSA-N
• XLogP: 4.14
• TPSA: 110.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.46
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-[(4-methylphenyl)methyl]benzamide?

The IUPAC name of 2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-[(4-methylphenyl)methyl]benzamide (CID 55555220) is 2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-[(4-methylphenyl)methyl]benzamide.

What is the SMILES notation for 2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-[(4-methylphenyl)methyl]benzamide?

The canonical SMILES for 2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-[(4-methylphenyl)methyl]benzamide is Cc1ccc(CNC(=O)c2ccccc2NC(=O)CCc2nc(-c3ccco3)no2)cc1.

What is the InChIKey of 2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-[(4-methylphenyl)methyl]benzamide?

The InChIKey is PZTMTUZSVRASBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4/c1-16-8-10-17(11-9-16)15-25-24(30)18-5-2-3-6-19(18)26-21(29)12-13-22-27-23(28-32-22)20-7-4-14-31-20/h2-11,14H,12-13,15H2,1H3,(H,25,30)(H,26,29).

What are the key properties of 2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-[(4-methylphenyl)methyl]benzamide?

2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 430.46 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 55555220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).