(4R)-4-benzyl-3-(pent-4-enoyl)-1,3-oxazolidin-2-one

• ChemBase ID: 176036
• Molecular Formular: C15H17NO3
• Molecular Mass: 259.30038
• Monoisotopic Mass: 259.12084341
• SMILES: C1OC(=O)N([C@@H]1Cc1ccccc1)C(=O)CCC=C
• Canonical SMILES: C=CCCC(=O)N1C(=O)OC[C@H]1Cc1ccccc1
• InChI: InChI=1S/C15H17NO3/c1-2-3-9-14(17)16-13(11-19-15(16)18)10-12-7-5-4-6-8-12/h2,4-8,13H,1,3,9-11H2/t13-/m1/s1
• InChIKey: VKEZZGBUHSYSJM-CYBMUJFWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4R)-4-benzyl-3-(pent-4-enoyl)-1,3-oxazolidin-2-one
• IUPAC Traditional name: (4R)-4-benzyl-3-(pent-4-enoyl)-1,3-oxazolidin-2-one
• Synonyms: (4R)-3-(4-Pentenoyl)-4-(phenylmethyl)-1,3-oxazolidin-2-one; (R)-4-Benzyl-3-(pent-4-enoyl)oxazolidin-2-one; (4R)-3-(1-Oxo-4-penten-1-yl)-4-(phenylmethyl)-2-oxazolidinone

Database IDs

• CAS Number: 155399-10-3
• PubChem SID: 164231946
• PubChem CID: 10858190

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9883487
• LogD (pH = 7.4): 2.9883487
• Log P: 2.9883487
• Molar Refractivity: 71.4939 cm^3
• Polarizability: 27.90606 Å^3
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Diethyl Ether; Ethyl Acetate; Methanol
• Apperance: Colorless Oil