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

C32H28FN3O5 — CID 42841255

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

N-benzyl-3-[(4-fluorophenyl)methyl]-5-[4-[(2-methoxybenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 42841255) has the molecular formula C32H28FN3O5 and a molecular weight of 553.59 g/mol. Its IUPAC name is N-benzyl-3-[(4-fluorophenyl)methyl]-5-[4-[(2-methoxybenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

• Compound Name: N-benzyl-3-[(4-fluorophenyl)methyl]-5-[4-[(2-methoxybenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
• PubChem CID: 42841255
• Molecular Formula: C32H28FN3O5
• Molecular Weight: 553.59 g/mol
• Exact Mass: 553.20
• IUPAC Name: N-benzyl-3-[(4-fluorophenyl)methyl]-5-[4-[(2-methoxybenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
• SMILES: COc1ccccc1C(=O)Nc1ccc(C2OC(=O)N(Cc3ccc(F)cc3)C2C(=O)NCc2ccccc2)cc1
• InChI: InChI=1S/C32H28FN3O5/c1-40-27-10-6-5-9-26(27)30(37)35-25-17-13-23(14-18-25)29-28(31(38)34-19-21-7-3-2-4-8-21)36(32(39)41-29)20-22-11-15-24(33)16-12-22/h2-18,28-29H,19-20H2,1H3,(H,34,38)(H,35,37)
• InChIKey: ZAJUVJNEWQJXFH-UHFFFAOYSA-N
• XLogP: 5.47
• TPSA: 96.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	553.59
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-benzyl-3-[(4-fluorophenyl)methyl]-5-[4-[(2-methoxybenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide (CID 42841255) is N-benzyl-3-[(4-fluorophenyl)methyl]-5-[4-[(2-methoxybenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide.

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

The canonical SMILES for N-benzyl-3-[(4-fluorophenyl)methyl]-5-[4-[(2-methoxybenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide is COc1ccccc1C(=O)Nc1ccc(C2OC(=O)N(Cc3ccc(F)cc3)C2C(=O)NCc2ccccc2)cc1.

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

The InChIKey is ZAJUVJNEWQJXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28FN3O5/c1-40-27-10-6-5-9-26(27)30(37)35-25-17-13-23(14-18-25)29-28(31(38)34-19-21-7-3-2-4-8-21)36(32(39)41-29)20-22-11-15-24(33)16-12-22/h2-18,28-29H,19-20H2,1H3,(H,34,38)(H,35,37).

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

N-benzyl-3-[(4-fluorophenyl)methyl]-5-[4-[(2-methoxybenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 553.59 g/mol, XLogP of 5.47, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-3-[(4-fluorophenyl)methyl]-5-[4-[(2-methoxybenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 42841255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).