(4R)-3-[(2E)-pent-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one

• ChemBase ID: 176035
• Molecular Formular: C14H15NO3
• Molecular Mass: 245.2738
• Monoisotopic Mass: 245.10519335
• SMILES: C1(=O)OC[C@H](N1C(=O)/C=C/CC)c1ccccc1
• Canonical SMILES: CC/C=C/C(=O)N1C(=O)OC[C@H]1c1ccccc1
• InChI: InChI=1S/C14H15NO3/c1-2-3-9-13(16)15-12(10-18-14(15)17)11-7-5-4-6-8-11/h3-9,12H,2,10H2,1H3/b9-3+/t12-/m0/s1
• InChIKey: IIIXNQYVSNHXHJ-KBNZMGLGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4R)-3-[(2E)-pent-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
• IUPAC Traditional name: (4R)-3-[(2E)-pent-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
• Synonyms: (4R)-3-[(2E)-1-Oxo-2-penten-1-yl]-4-phenyl-2-oxazolidinone; (4R)-3-[(2E)-1-Oxo-2-pentenyl]-4-phenyl-2-oxazolidinone; [R-(E)]-3-(1-Oxo-2-pentenyl)-4-phenyl-2-oxazolidinone

Database IDs

• CAS Number: 188559-05-9
• PubChem SID: 164231945
• PubChem CID: 10966778

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.0014992
• LogD (pH = 7.4): 3.0014992
• Log P: 3.0014992
• Molar Refractivity: 67.7881 cm^3
• Polarizability: 26.064228 Å^3
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Diethyl Ether; Ethyl Acetate
• Apperance: Off-White Solid