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

C32H28FN3O5 — CID 98423475

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

(4R,5R)-N-(3-fluorophenyl)-5-[4-[(2-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 98423475) has the molecular formula C32H28FN3O5 and a molecular weight of 553.59 g/mol. Its IUPAC name is (4R,5R)-N-(3-fluorophenyl)-5-[4-[(2-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

• Compound Name: (4R,5R)-N-(3-fluorophenyl)-5-[4-[(2-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
• PubChem CID: 98423475
• Molecular Formula: C32H28FN3O5
• Molecular Weight: 553.59 g/mol
• Exact Mass: 553.20
• IUPAC Name: (4R,5R)-N-(3-fluorophenyl)-5-[4-[(2-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
• SMILES: COc1ccccc1C(=O)Nc1ccc([C@H]2OC(=O)N(Cc3ccc(C)cc3)[C@H]2C(=O)Nc2cccc(F)c2)cc1
• InChI: InChI=1S/C32H28FN3O5/c1-20-10-12-21(13-11-20)19-36-28(31(38)35-25-7-5-6-23(33)18-25)29(41-32(36)39)22-14-16-24(17-15-22)34-30(37)26-8-3-4-9-27(26)40-2/h3-18,28-29H,19H2,1-2H3,(H,34,37)(H,35,38)/t28-,29-/m1/s1
• InChIKey: WPBIDISZNIOFMA-FQLXRVMXSA-N
• XLogP: 6.10
• TPSA: 96.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	553.59
LogP ≤ 5	6.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (4R,5R)-N-(3-fluorophenyl)-5-[4-[(2-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide (CID 98423475) is (4R,5R)-N-(3-fluorophenyl)-5-[4-[(2-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide.

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

The canonical SMILES for (4R,5R)-N-(3-fluorophenyl)-5-[4-[(2-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide is COc1ccccc1C(=O)Nc1ccc([C@H]2OC(=O)N(Cc3ccc(C)cc3)[C@H]2C(=O)Nc2cccc(F)c2)cc1.

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

The InChIKey is WPBIDISZNIOFMA-FQLXRVMXSA-N. The full InChI is InChI=1S/C32H28FN3O5/c1-20-10-12-21(13-11-20)19-36-28(31(38)35-25-7-5-6-23(33)18-25)29(41-32(36)39)22-14-16-24(17-15-22)34-30(37)26-8-3-4-9-27(26)40-2/h3-18,28-29H,19H2,1-2H3,(H,34,37)(H,35,38)/t28-,29-/m1/s1.

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

(4R,5R)-N-(3-fluorophenyl)-5-[4-[(2-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 553.59 g/mol, XLogP of 6.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,5R)-N-(3-fluorophenyl)-5-[4-[(2-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 98423475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).