3-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)-5-[3-(2-methylpropanoylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide

C24H28ClN3O5 — CID 42841306

About 3-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)-5-[3-(2-methylpropanoylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide

3-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)-5-[3-(2-methylpropanoylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 42841306) has the molecular formula C24H28ClN3O5 and a molecular weight of 473.96 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)-5-[3-(2-methylpropanoylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

• Compound Name: 3-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)-5-[3-(2-methylpropanoylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
• PubChem CID: 42841306
• Molecular Formula: C24H28ClN3O5
• Molecular Weight: 473.96 g/mol
• Exact Mass: 473.17
• IUPAC Name: 3-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)-5-[3-(2-methylpropanoylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
• SMILES: COCCNC(=O)C1C(c2cccc(NC(=O)C(C)C)c2)OC(=O)N1Cc1cccc(Cl)c1
• InChI: InChI=1S/C24H28ClN3O5/c1-15(2)22(29)27-19-9-5-7-17(13-19)21-20(23(30)26-10-11-32-3)28(24(31)33-21)14-16-6-4-8-18(25)12-16/h4-9,12-13,15,20-21H,10-11,14H2,1-3H3,(H,26,30)(H,27,29)
• InChIKey: AJBWHSORGFAYJR-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 96.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.96
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)-5-[3-(2-methylpropanoylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide?

The IUPAC name of 3-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)-5-[3-(2-methylpropanoylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide (CID 42841306) is 3-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)-5-[3-(2-methylpropanoylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide.

What is the SMILES notation for 3-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)-5-[3-(2-methylpropanoylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide?

The canonical SMILES for 3-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)-5-[3-(2-methylpropanoylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide is COCCNC(=O)C1C(c2cccc(NC(=O)C(C)C)c2)OC(=O)N1Cc1cccc(Cl)c1.

What is the InChIKey of 3-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)-5-[3-(2-methylpropanoylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide?

The InChIKey is AJBWHSORGFAYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O5/c1-15(2)22(29)27-19-9-5-7-17(13-19)21-20(23(30)26-10-11-32-3)28(24(31)33-21)14-16-6-4-8-18(25)12-16/h4-9,12-13,15,20-21H,10-11,14H2,1-3H3,(H,26,30)(H,27,29).

What are the key properties of 3-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)-5-[3-(2-methylpropanoylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide?

3-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)-5-[3-(2-methylpropanoylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 473.96 g/mol, XLogP of 3.76, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)-5-[3-(2-methylpropanoylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 42841306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).