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

C32H28FN3O5 — CID 98422528

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

(4S,5R)-N-(4-fluorophenyl)-5-[4-[(3-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 98422528) has the molecular formula C32H28FN3O5 and a molecular weight of 553.59 g/mol. Its IUPAC name is (4S,5R)-N-(4-fluorophenyl)-5-[4-[(3-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

• Compound Name: (4S,5R)-N-(4-fluorophenyl)-5-[4-[(3-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
• PubChem CID: 98422528
• Molecular Formula: C32H28FN3O5
• Molecular Weight: 553.59 g/mol
• Exact Mass: 553.20
• IUPAC Name: (4S,5R)-N-(4-fluorophenyl)-5-[4-[(3-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
• SMILES: COc1cccc(C(=O)Nc2ccc([C@H]3OC(=O)N(Cc4ccc(C)cc4)[C@@H]3C(=O)Nc3ccc(F)cc3)cc2)c1
• InChI: InChI=1S/C32H28FN3O5/c1-20-6-8-21(9-7-20)19-36-28(31(38)35-26-16-12-24(33)13-17-26)29(41-32(36)39)22-10-14-25(15-11-22)34-30(37)23-4-3-5-27(18-23)40-2/h3-18,28-29H,19H2,1-2H3,(H,34,37)(H,35,38)/t28-,29+/m0/s1
• InChIKey: SYKJGQUIWJPTCJ-URLMMPGGSA-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 (4S,5R)-N-(4-fluorophenyl)-5-[4-[(3-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?

The IUPAC name of (4S,5R)-N-(4-fluorophenyl)-5-[4-[(3-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide (CID 98422528) is (4S,5R)-N-(4-fluorophenyl)-5-[4-[(3-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide.

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

The canonical SMILES for (4S,5R)-N-(4-fluorophenyl)-5-[4-[(3-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide is COc1cccc(C(=O)Nc2ccc([C@H]3OC(=O)N(Cc4ccc(C)cc4)[C@@H]3C(=O)Nc3ccc(F)cc3)cc2)c1.

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

The InChIKey is SYKJGQUIWJPTCJ-URLMMPGGSA-N. The full InChI is InChI=1S/C32H28FN3O5/c1-20-6-8-21(9-7-20)19-36-28(31(38)35-26-16-12-24(33)13-17-26)29(41-32(36)39)22-10-14-25(15-11-22)34-30(37)23-4-3-5-27(18-23)40-2/h3-18,28-29H,19H2,1-2H3,(H,34,37)(H,35,38)/t28-,29+/m0/s1.

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

(4S,5R)-N-(4-fluorophenyl)-5-[4-[(3-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 (4S,5R)-N-(4-fluorophenyl)-5-[4-[(3-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 98422528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).