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

C27H25ClFN3O4 — CID 93200965

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

(4R,5S)-5-[4-[(3-chlorobenzoyl)amino]phenyl]-3-[(4-fluorophenyl)methyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide (PubChem CID 93200965) has the molecular formula C27H25ClFN3O4 and a molecular weight of 509.97 g/mol. Its IUPAC name is (4R,5S)-5-[4-[(3-chlorobenzoyl)amino]phenyl]-3-[(4-fluorophenyl)methyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide.

Molecular Properties

• Compound Name: (4R,5S)-5-[4-[(3-chlorobenzoyl)amino]phenyl]-3-[(4-fluorophenyl)methyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide
• PubChem CID: 93200965
• Molecular Formula: C27H25ClFN3O4
• Molecular Weight: 509.97 g/mol
• Exact Mass: 509.15
• IUPAC Name: (4R,5S)-5-[4-[(3-chlorobenzoyl)amino]phenyl]-3-[(4-fluorophenyl)methyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide
• SMILES: CC(C)NC(=O)[C@H]1[C@H](c2ccc(NC(=O)c3cccc(Cl)c3)cc2)OC(=O)N1Cc1ccc(F)cc1
• InChI: InChI=1S/C27H25ClFN3O4/c1-16(2)30-26(34)23-24(36-27(35)32(23)15-17-6-10-21(29)11-7-17)18-8-12-22(13-9-18)31-25(33)19-4-3-5-20(28)14-19/h3-14,16,23-24H,15H2,1-2H3,(H,30,34)(H,31,33)/t23-,24+/m1/s1
• InChIKey: SBAJGSLRNBTZLE-RPWUZVMVSA-N
• XLogP: 5.32
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.97
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (4R,5S)-5-[4-[(3-chlorobenzoyl)amino]phenyl]-3-[(4-fluorophenyl)methyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide (CID 93200965) is (4R,5S)-5-[4-[(3-chlorobenzoyl)amino]phenyl]-3-[(4-fluorophenyl)methyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide.

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

The canonical SMILES for (4R,5S)-5-[4-[(3-chlorobenzoyl)amino]phenyl]-3-[(4-fluorophenyl)methyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide is CC(C)NC(=O)[C@H]1[C@H](c2ccc(NC(=O)c3cccc(Cl)c3)cc2)OC(=O)N1Cc1ccc(F)cc1.

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

The InChIKey is SBAJGSLRNBTZLE-RPWUZVMVSA-N. The full InChI is InChI=1S/C27H25ClFN3O4/c1-16(2)30-26(34)23-24(36-27(35)32(23)15-17-6-10-21(29)11-7-17)18-8-12-22(13-9-18)31-25(33)19-4-3-5-20(28)14-19/h3-14,16,23-24H,15H2,1-2H3,(H,30,34)(H,31,33)/t23-,24+/m1/s1.

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

(4R,5S)-5-[4-[(3-chlorobenzoyl)amino]phenyl]-3-[(4-fluorophenyl)methyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide has a molecular weight of 509.97 g/mol, XLogP of 5.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,5S)-5-[4-[(3-chlorobenzoyl)amino]phenyl]-3-[(4-fluorophenyl)methyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 93200965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).