5-[4-[(4-fluorobenzoyl)amino]phenyl]-N-(3-fluorophenyl)-3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide

C31H25F2N3O5 — CID 46021477

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

5-[4-[(4-fluorobenzoyl)amino]phenyl]-N-(3-fluorophenyl)-3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 46021477) has the molecular formula C31H25F2N3O5 and a molecular weight of 557.55 g/mol. Its IUPAC name is 5-[4-[(4-fluorobenzoyl)amino]phenyl]-N-(3-fluorophenyl)-3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

• Compound Name: 5-[4-[(4-fluorobenzoyl)amino]phenyl]-N-(3-fluorophenyl)-3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
• PubChem CID: 46021477
• Molecular Formula: C31H25F2N3O5
• Molecular Weight: 557.55 g/mol
• Exact Mass: 557.18
• IUPAC Name: 5-[4-[(4-fluorobenzoyl)amino]phenyl]-N-(3-fluorophenyl)-3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
• SMILES: COc1cccc(CN2C(=O)OC(c3ccc(NC(=O)c4ccc(F)cc4)cc3)C2C(=O)Nc2cccc(F)c2)c1
• InChI: InChI=1S/C31H25F2N3O5/c1-40-26-7-2-4-19(16-26)18-36-27(30(38)35-25-6-3-5-23(33)17-25)28(41-31(36)39)20-10-14-24(15-11-20)34-29(37)21-8-12-22(32)13-9-21/h2-17,27-28H,18H2,1H3,(H,34,37)(H,35,38)
• InChIKey: WTRWQFBTZJVGLL-UHFFFAOYSA-N
• XLogP: 5.93
• 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	557.55
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-[4-[(4-fluorobenzoyl)amino]phenyl]-N-(3-fluorophenyl)-3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide (CID 46021477) is 5-[4-[(4-fluorobenzoyl)amino]phenyl]-N-(3-fluorophenyl)-3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide.

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

The canonical SMILES for 5-[4-[(4-fluorobenzoyl)amino]phenyl]-N-(3-fluorophenyl)-3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide is COc1cccc(CN2C(=O)OC(c3ccc(NC(=O)c4ccc(F)cc4)cc3)C2C(=O)Nc2cccc(F)c2)c1.

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

The InChIKey is WTRWQFBTZJVGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25F2N3O5/c1-40-26-7-2-4-19(16-26)18-36-27(30(38)35-25-6-3-5-23(33)17-25)28(41-31(36)39)20-10-14-24(15-11-20)34-29(37)21-8-12-22(32)13-9-21/h2-17,27-28H,18H2,1H3,(H,34,37)(H,35,38).

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

5-[4-[(4-fluorobenzoyl)amino]phenyl]-N-(3-fluorophenyl)-3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 557.55 g/mol, XLogP of 5.93, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[(4-fluorobenzoyl)amino]phenyl]-N-(3-fluorophenyl)-3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 46021477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).