N-(2-amino-2-oxo-1-phenylethyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

C24H20N4O3 — CID 42934242

About N-(2-amino-2-oxo-1-phenylethyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

N-(2-amino-2-oxo-1-phenylethyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 42934242) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-(2-amino-2-oxo-1-phenylethyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: N-(2-amino-2-oxo-1-phenylethyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
• PubChem CID: 42934242
• Molecular Formula: C24H20N4O3
• Molecular Weight: 412.45 g/mol
• Exact Mass: 412.15
• IUPAC Name: N-(2-amino-2-oxo-1-phenylethyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
• SMILES: Cc1ccccc1-c1nnc(-c2ccc(C(=O)NC(C(N)=O)c3ccccc3)cc2)o1
• InChI: InChI=1S/C24H20N4O3/c1-15-7-5-6-10-19(15)24-28-27-23(31-24)18-13-11-17(12-14-18)22(30)26-20(21(25)29)16-8-3-2-4-9-16/h2-14,20H,1H3,(H2,25,29)(H,26,30)
• InChIKey: ITUSCVGQBNAFMG-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 111.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.45
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxo-1-phenylethyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?

The IUPAC name of N-(2-amino-2-oxo-1-phenylethyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 42934242) is N-(2-amino-2-oxo-1-phenylethyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

What is the SMILES notation for N-(2-amino-2-oxo-1-phenylethyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?

The canonical SMILES for N-(2-amino-2-oxo-1-phenylethyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is Cc1ccccc1-c1nnc(-c2ccc(C(=O)NC(C(N)=O)c3ccccc3)cc2)o1.

What is the InChIKey of N-(2-amino-2-oxo-1-phenylethyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?

The InChIKey is ITUSCVGQBNAFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3/c1-15-7-5-6-10-19(15)24-28-27-23(31-24)18-13-11-17(12-14-18)22(30)26-20(21(25)29)16-8-3-2-4-9-16/h2-14,20H,1H3,(H2,25,29)(H,26,30).

What are the key properties of N-(2-amino-2-oxo-1-phenylethyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?

N-(2-amino-2-oxo-1-phenylethyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 412.45 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-amino-2-oxo-1-phenylethyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 42934242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).