N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[5-(4-methylphenyl)-2-oxo-1,3-oxazol-3-yl]acetamide

C21H29N3O3 — CID 53180472

About N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[5-(4-methylphenyl)-2-oxo-1,3-oxazol-3-yl]acetamide

N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[5-(4-methylphenyl)-2-oxo-1,3-oxazol-3-yl]acetamide (PubChem CID 53180472) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[5-(4-methylphenyl)-2-oxo-1,3-oxazol-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[5-(4-methylphenyl)-2-oxo-1,3-oxazol-3-yl]acetamide
• PubChem CID: 53180472
• Molecular Formula: C21H29N3O3
• Molecular Weight: 371.48 g/mol
• Exact Mass: 371.22
• IUPAC Name: N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[5-(4-methylphenyl)-2-oxo-1,3-oxazol-3-yl]acetamide
• SMILES: Cc1ccc(-c2cn(CC(=O)NCCN(C)C3CCCCC3)c(=O)o2)cc1
• InChI: InChI=1S/C21H29N3O3/c1-16-8-10-17(11-9-16)19-14-24(21(26)27-19)15-20(25)22-12-13-23(2)18-6-4-3-5-7-18/h8-11,14,18H,3-7,12-13,15H2,1-2H3,(H,22,25)
• InChIKey: ZVFXNXZEDAVSMY-UHFFFAOYSA-N
• XLogP: 2.80
• TPSA: 67.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.48
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[5-(4-methylphenyl)-2-oxo-1,3-oxazol-3-yl]acetamide?

The IUPAC name of N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[5-(4-methylphenyl)-2-oxo-1,3-oxazol-3-yl]acetamide (CID 53180472) is N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[5-(4-methylphenyl)-2-oxo-1,3-oxazol-3-yl]acetamide.

What is the SMILES notation for N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[5-(4-methylphenyl)-2-oxo-1,3-oxazol-3-yl]acetamide?

The canonical SMILES for N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[5-(4-methylphenyl)-2-oxo-1,3-oxazol-3-yl]acetamide is Cc1ccc(-c2cn(CC(=O)NCCN(C)C3CCCCC3)c(=O)o2)cc1.

What is the InChIKey of N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[5-(4-methylphenyl)-2-oxo-1,3-oxazol-3-yl]acetamide?

The InChIKey is ZVFXNXZEDAVSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-16-8-10-17(11-9-16)19-14-24(21(26)27-19)15-20(25)22-12-13-23(2)18-6-4-3-5-7-18/h8-11,14,18H,3-7,12-13,15H2,1-2H3,(H,22,25).

What are the key properties of N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[5-(4-methylphenyl)-2-oxo-1,3-oxazol-3-yl]acetamide?

N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[5-(4-methylphenyl)-2-oxo-1,3-oxazol-3-yl]acetamide has a molecular weight of 371.48 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[5-(4-methylphenyl)-2-oxo-1,3-oxazol-3-yl]acetamide is sourced from PubChem (CID 53180472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).