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

C31H27ClN4O4 — CID 98173835

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

(4S,5R)-5-[3-[(3-chlorobenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide (PubChem CID 98173835) has the molecular formula C31H27ClN4O4 and a molecular weight of 555.03 g/mol. Its IUPAC name is (4S,5R)-5-[3-[(3-chlorobenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide.

Molecular Properties

• Compound Name: (4S,5R)-5-[3-[(3-chlorobenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide
• PubChem CID: 98173835
• Molecular Formula: C31H27ClN4O4
• Molecular Weight: 555.03 g/mol
• Exact Mass: 554.17
• IUPAC Name: (4S,5R)-5-[3-[(3-chlorobenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide
• SMILES: Cc1ccc(CN2C(=O)O[C@H](c3cccc(NC(=O)c4cccc(Cl)c4)c3)[C@H]2C(=O)NCc2cccnc2)cc1
• InChI: InChI=1S/C31H27ClN4O4/c1-20-10-12-21(13-11-20)19-36-27(30(38)34-18-22-5-4-14-33-17-22)28(40-31(36)39)23-6-3-9-26(16-23)35-29(37)24-7-2-8-25(32)15-24/h2-17,27-28H,18-19H2,1H3,(H,34,38)(H,35,37)/t27-,28+/m0/s1
• InChIKey: WSLSZTJWHQGRTP-WUFINQPMSA-N
• XLogP: 5.67
• TPSA: 100.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	555.03
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (4S,5R)-5-[3-[(3-chlorobenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide (CID 98173835) is (4S,5R)-5-[3-[(3-chlorobenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide.

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

The canonical SMILES for (4S,5R)-5-[3-[(3-chlorobenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide is Cc1ccc(CN2C(=O)O[C@H](c3cccc(NC(=O)c4cccc(Cl)c4)c3)[C@H]2C(=O)NCc2cccnc2)cc1.

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

The InChIKey is WSLSZTJWHQGRTP-WUFINQPMSA-N. The full InChI is InChI=1S/C31H27ClN4O4/c1-20-10-12-21(13-11-20)19-36-27(30(38)34-18-22-5-4-14-33-17-22)28(40-31(36)39)23-6-3-9-26(16-23)35-29(37)24-7-2-8-25(32)15-24/h2-17,27-28H,18-19H2,1H3,(H,34,38)(H,35,37)/t27-,28+/m0/s1.

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

(4S,5R)-5-[3-[(3-chlorobenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide has a molecular weight of 555.03 g/mol, XLogP of 5.67, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4S,5R)-5-[3-[(3-chlorobenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 98173835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).