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

C31H26FN3O4 — CID 93202166

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

(4S,5R)-3-benzyl-N-(4-fluorophenyl)-5-[3-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 93202166) has the molecular formula C31H26FN3O4 and a molecular weight of 523.56 g/mol. Its IUPAC name is (4S,5R)-3-benzyl-N-(4-fluorophenyl)-5-[3-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

• Compound Name: (4S,5R)-3-benzyl-N-(4-fluorophenyl)-5-[3-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
• PubChem CID: 93202166
• Molecular Formula: C31H26FN3O4
• Molecular Weight: 523.56 g/mol
• Exact Mass: 523.19
• IUPAC Name: (4S,5R)-3-benzyl-N-(4-fluorophenyl)-5-[3-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
• SMILES: Cc1ccc(C(=O)Nc2cccc([C@H]3OC(=O)N(Cc4ccccc4)[C@@H]3C(=O)Nc3ccc(F)cc3)c2)cc1
• InChI: InChI=1S/C31H26FN3O4/c1-20-10-12-22(13-11-20)29(36)34-26-9-5-8-23(18-26)28-27(30(37)33-25-16-14-24(32)15-17-25)35(31(38)39-28)19-21-6-3-2-4-7-21/h2-18,27-28H,19H2,1H3,(H,33,37)(H,34,36)/t27-,28+/m0/s1
• InChIKey: MIBUTJUPEIGHIC-WUFINQPMSA-N
• XLogP: 6.09
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.56
LogP ≤ 5	6.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (4S,5R)-3-benzyl-N-(4-fluorophenyl)-5-[3-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide (CID 93202166) is (4S,5R)-3-benzyl-N-(4-fluorophenyl)-5-[3-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide.

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

The canonical SMILES for (4S,5R)-3-benzyl-N-(4-fluorophenyl)-5-[3-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide is Cc1ccc(C(=O)Nc2cccc([C@H]3OC(=O)N(Cc4ccccc4)[C@@H]3C(=O)Nc3ccc(F)cc3)c2)cc1.

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

The InChIKey is MIBUTJUPEIGHIC-WUFINQPMSA-N. The full InChI is InChI=1S/C31H26FN3O4/c1-20-10-12-22(13-11-20)29(36)34-26-9-5-8-23(18-26)28-27(30(37)33-25-16-14-24(32)15-17-25)35(31(38)39-28)19-21-6-3-2-4-7-21/h2-18,27-28H,19H2,1H3,(H,33,37)(H,34,36)/t27-,28+/m0/s1.

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

(4S,5R)-3-benzyl-N-(4-fluorophenyl)-5-[3-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 523.56 g/mol, XLogP of 6.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4S,5R)-3-benzyl-N-(4-fluorophenyl)-5-[3-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 93202166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).