(4R,5S)-3-[(3-methoxyphenyl)methyl]-5-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxo-N-phenyl-1,3-oxazolidine-4-carboxamide

C32H29N3O5 — CID 98424048

About (4R,5S)-3-[(3-methoxyphenyl)methyl]-5-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxo-N-phenyl-1,3-oxazolidine-4-carboxamide

(4R,5S)-3-[(3-methoxyphenyl)methyl]-5-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxo-N-phenyl-1,3-oxazolidine-4-carboxamide (PubChem CID 98424048) has the molecular formula C32H29N3O5 and a molecular weight of 535.60 g/mol. Its IUPAC name is (4R,5S)-3-[(3-methoxyphenyl)methyl]-5-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxo-N-phenyl-1,3-oxazolidine-4-carboxamide.

Molecular Properties

• Compound Name: (4R,5S)-3-[(3-methoxyphenyl)methyl]-5-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxo-N-phenyl-1,3-oxazolidine-4-carboxamide
• PubChem CID: 98424048
• Molecular Formula: C32H29N3O5
• Molecular Weight: 535.60 g/mol
• Exact Mass: 535.21
• IUPAC Name: (4R,5S)-3-[(3-methoxyphenyl)methyl]-5-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxo-N-phenyl-1,3-oxazolidine-4-carboxamide
• SMILES: COc1cccc(CN2C(=O)O[C@@H](c3ccc(NC(=O)c4ccc(C)cc4)cc3)[C@@H]2C(=O)Nc2ccccc2)c1
• InChI: InChI=1S/C32H29N3O5/c1-21-11-13-24(14-12-21)30(36)33-26-17-15-23(16-18-26)29-28(31(37)34-25-8-4-3-5-9-25)35(32(38)40-29)20-22-7-6-10-27(19-22)39-2/h3-19,28-29H,20H2,1-2H3,(H,33,36)(H,34,37)/t28-,29+/m1/s1
• InChIKey: GKJCEMDKEOBGDP-WDYNHAJCSA-N
• XLogP: 5.96
• TPSA: 96.97 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	535.60
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (4R,5S)-3-[(3-methoxyphenyl)methyl]-5-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxo-N-phenyl-1,3-oxazolidine-4-carboxamide (CID 98424048) is (4R,5S)-3-[(3-methoxyphenyl)methyl]-5-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxo-N-phenyl-1,3-oxazolidine-4-carboxamide.

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

The canonical SMILES for (4R,5S)-3-[(3-methoxyphenyl)methyl]-5-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxo-N-phenyl-1,3-oxazolidine-4-carboxamide is COc1cccc(CN2C(=O)O[C@@H](c3ccc(NC(=O)c4ccc(C)cc4)cc3)[C@@H]2C(=O)Nc2ccccc2)c1.

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

The InChIKey is GKJCEMDKEOBGDP-WDYNHAJCSA-N. The full InChI is InChI=1S/C32H29N3O5/c1-21-11-13-24(14-12-21)30(36)33-26-17-15-23(16-18-26)29-28(31(37)34-25-8-4-3-5-9-25)35(32(38)40-29)20-22-7-6-10-27(19-22)39-2/h3-19,28-29H,20H2,1-2H3,(H,33,36)(H,34,37)/t28-,29+/m1/s1.

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

(4R,5S)-3-[(3-methoxyphenyl)methyl]-5-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxo-N-phenyl-1,3-oxazolidine-4-carboxamide has a molecular weight of 535.60 g/mol, XLogP of 5.96, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,5S)-3-[(3-methoxyphenyl)methyl]-5-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxo-N-phenyl-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 98424048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).