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

C29H29N3O5 — CID 93206807

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

(4R,5S)-N-cyclopropyl-5-[3-[(2-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 93206807) has the molecular formula C29H29N3O5 and a molecular weight of 499.57 g/mol. Its IUPAC name is (4R,5S)-N-cyclopropyl-5-[3-[(2-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

• Compound Name: (4R,5S)-N-cyclopropyl-5-[3-[(2-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
• PubChem CID: 93206807
• Molecular Formula: C29H29N3O5
• Molecular Weight: 499.57 g/mol
• Exact Mass: 499.21
• IUPAC Name: (4R,5S)-N-cyclopropyl-5-[3-[(2-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
• SMILES: COc1ccccc1C(=O)Nc1cccc([C@@H]2OC(=O)N(Cc3ccc(C)cc3)[C@H]2C(=O)NC2CC2)c1
• InChI: InChI=1S/C29H29N3O5/c1-18-10-12-19(13-11-18)17-32-25(28(34)30-21-14-15-21)26(37-29(32)35)20-6-5-7-22(16-20)31-27(33)23-8-3-4-9-24(23)36-2/h3-13,16,21,25-26H,14-15,17H2,1-2H3,(H,30,34)(H,31,33)/t25-,26+/m1/s1
• InChIKey: WZPQQWQIACSGLB-FTJBHMTQSA-N
• XLogP: 4.60
• TPSA: 96.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.57
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (4R,5S)-N-cyclopropyl-5-[3-[(2-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide (CID 93206807) is (4R,5S)-N-cyclopropyl-5-[3-[(2-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide.

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

The canonical SMILES for (4R,5S)-N-cyclopropyl-5-[3-[(2-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide is COc1ccccc1C(=O)Nc1cccc([C@@H]2OC(=O)N(Cc3ccc(C)cc3)[C@H]2C(=O)NC2CC2)c1.

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

The InChIKey is WZPQQWQIACSGLB-FTJBHMTQSA-N. The full InChI is InChI=1S/C29H29N3O5/c1-18-10-12-19(13-11-18)17-32-25(28(34)30-21-14-15-21)26(37-29(32)35)20-6-5-7-22(16-20)31-27(33)23-8-3-4-9-24(23)36-2/h3-13,16,21,25-26H,14-15,17H2,1-2H3,(H,30,34)(H,31,33)/t25-,26+/m1/s1.

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

(4R,5S)-N-cyclopropyl-5-[3-[(2-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 499.57 g/mol, XLogP of 4.60, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,5S)-N-cyclopropyl-5-[3-[(2-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 93206807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).