(4R,5S)-5-(3-benzamidophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide

C31H28N4O4 — CID 93202513

About (4R,5S)-5-(3-benzamidophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide

(4R,5S)-5-(3-benzamidophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide (PubChem CID 93202513) has the molecular formula C31H28N4O4 and a molecular weight of 520.59 g/mol. Its IUPAC name is (4R,5S)-5-(3-benzamidophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide.

Molecular Properties

• Compound Name: (4R,5S)-5-(3-benzamidophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
• PubChem CID: 93202513
• Molecular Formula: C31H28N4O4
• Molecular Weight: 520.59 g/mol
• Exact Mass: 520.21
• IUPAC Name: (4R,5S)-5-(3-benzamidophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
• SMILES: Cc1ccc(CN2C(=O)O[C@@H](c3cccc(NC(=O)c4ccccc4)c3)[C@@H]2C(=O)NCc2ccccn2)cc1
• InChI: InChI=1S/C31H28N4O4/c1-21-13-15-22(16-14-21)20-35-27(30(37)33-19-26-11-5-6-17-32-26)28(39-31(35)38)24-10-7-12-25(18-24)34-29(36)23-8-3-2-4-9-23/h2-18,27-28H,19-20H2,1H3,(H,33,37)(H,34,36)/t27-,28+/m1/s1
• InChIKey: RBEOBHCMRMGUJH-IZLXSDGUSA-N
• XLogP: 5.02
• TPSA: 100.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.59
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-(3-benzamidophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide?

The IUPAC name of (4R,5S)-5-(3-benzamidophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide (CID 93202513) is (4R,5S)-5-(3-benzamidophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide.

What is the SMILES notation for (4R,5S)-5-(3-benzamidophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide?

The canonical SMILES for (4R,5S)-5-(3-benzamidophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide is Cc1ccc(CN2C(=O)O[C@@H](c3cccc(NC(=O)c4ccccc4)c3)[C@@H]2C(=O)NCc2ccccn2)cc1.

What is the InChIKey of (4R,5S)-5-(3-benzamidophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide?

The InChIKey is RBEOBHCMRMGUJH-IZLXSDGUSA-N. The full InChI is InChI=1S/C31H28N4O4/c1-21-13-15-22(16-14-21)20-35-27(30(37)33-19-26-11-5-6-17-32-26)28(39-31(35)38)24-10-7-12-25(18-24)34-29(36)23-8-3-2-4-9-23/h2-18,27-28H,19-20H2,1H3,(H,33,37)(H,34,36)/t27-,28+/m1/s1.

What are the key properties of (4R,5S)-5-(3-benzamidophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide?

(4R,5S)-5-(3-benzamidophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide has a molecular weight of 520.59 g/mol, XLogP of 5.02, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,5S)-5-(3-benzamidophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 93202513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).