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

C27H25ClFN3O4 — CID 93206816

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

(4S,5R)-3-[(3-chlorophenyl)methyl]-5-[3-[(2-fluorobenzoyl)amino]phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide (PubChem CID 93206816) has the molecular formula C27H25ClFN3O4 and a molecular weight of 509.97 g/mol. Its IUPAC name is (4S,5R)-3-[(3-chlorophenyl)methyl]-5-[3-[(2-fluorobenzoyl)amino]phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide.

Molecular Properties

• Compound Name: (4S,5R)-3-[(3-chlorophenyl)methyl]-5-[3-[(2-fluorobenzoyl)amino]phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide
• PubChem CID: 93206816
• Molecular Formula: C27H25ClFN3O4
• Molecular Weight: 509.97 g/mol
• Exact Mass: 509.15
• IUPAC Name: (4S,5R)-3-[(3-chlorophenyl)methyl]-5-[3-[(2-fluorobenzoyl)amino]phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide
• SMILES: CC(C)NC(=O)[C@@H]1[C@@H](c2cccc(NC(=O)c3ccccc3F)c2)OC(=O)N1Cc1cccc(Cl)c1
• InChI: InChI=1S/C27H25ClFN3O4/c1-16(2)30-26(34)23-24(36-27(35)32(23)15-17-7-5-9-19(28)13-17)18-8-6-10-20(14-18)31-25(33)21-11-3-4-12-22(21)29/h3-14,16,23-24H,15H2,1-2H3,(H,30,34)(H,31,33)/t23-,24+/m0/s1
• InChIKey: AWMKYOBSAQADSI-BJKOFHAPSA-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 (4S,5R)-3-[(3-chlorophenyl)methyl]-5-[3-[(2-fluorobenzoyl)amino]phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide?

The IUPAC name of (4S,5R)-3-[(3-chlorophenyl)methyl]-5-[3-[(2-fluorobenzoyl)amino]phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide (CID 93206816) is (4S,5R)-3-[(3-chlorophenyl)methyl]-5-[3-[(2-fluorobenzoyl)amino]phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide.

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

The canonical SMILES for (4S,5R)-3-[(3-chlorophenyl)methyl]-5-[3-[(2-fluorobenzoyl)amino]phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide is CC(C)NC(=O)[C@@H]1[C@@H](c2cccc(NC(=O)c3ccccc3F)c2)OC(=O)N1Cc1cccc(Cl)c1.

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

The InChIKey is AWMKYOBSAQADSI-BJKOFHAPSA-N. The full InChI is InChI=1S/C27H25ClFN3O4/c1-16(2)30-26(34)23-24(36-27(35)32(23)15-17-7-5-9-19(28)13-17)18-8-6-10-20(14-18)31-25(33)21-11-3-4-12-22(21)29/h3-14,16,23-24H,15H2,1-2H3,(H,30,34)(H,31,33)/t23-,24+/m0/s1.

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

(4S,5R)-3-[(3-chlorophenyl)methyl]-5-[3-[(2-fluorobenzoyl)amino]phenyl]-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 (4S,5R)-3-[(3-chlorophenyl)methyl]-5-[3-[(2-fluorobenzoyl)amino]phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 93206816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).