(4R)-3-[(3S)-3-(3-aminophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one

• ChemBase ID: 160414
• Molecular Formular: C20H22N2O3
• Molecular Mass: 338.40028
• Monoisotopic Mass: 338.16304257
• SMILES: C1(=O)OC[C@H](N1C(=O)C[C@H](CC)c1cccc(c1)N)c1ccccc1
• Canonical SMILES: CC[C@H](c1cccc(c1)N)CC(=O)N1C(=O)OC[C@H]1c1ccccc1
• InChI: InChI=1S/C20H22N2O3/c1-2-14(16-9-6-10-17(21)11-16)12-19(23)22-18(13-25-20(22)24)15-7-4-3-5-8-15/h3-11,14,18H,2,12-13,21H2,1H3/t14-,18-/m0/s1
• InChIKey: RHHQJRJVLJCKLK-KSSFIOAISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4R)-3-[(3S)-3-(3-aminophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one
• IUPAC Traditional name: (4R)-3-[(3S)-3-(3-aminophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one
• Synonyms: [R-(R*,S*)]-3-[3-(3-Aminophenyl)-1-oxopentyl]-4-phenyl-2-oxazolidinone

Database IDs

• CAS Number: 174590-39-7
• PubChem SID: 162254549
• PubChem CID: 29971868

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.575613
• LogD (pH = 7.4): 3.5953157
• Log P: 3.5955727
• Molar Refractivity: 96.0388 cm^3
• Polarizability: 37.034412 Å^3
• Polar Surface Area: 72.63 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Ethyl Acetate; Methanol
• Apperance: White Solid