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

• ChemBase ID: 798738
• Molecular Formular: C13H15NO3
• Molecular Mass: 233.2631
• Monoisotopic Mass: 233.10519335
• SMILES: O1C(=O)N([C@@H](C1)Cc1ccccc1)C(=O)CC
• Canonical SMILES: CCC(=O)N1C(=O)OC[C@H]1Cc1ccccc1
• InChI: InChI=1S/C13H15NO3/c1-2-12(15)14-11(9-17-13(14)16)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3/t11-/m1/s1
• InChIKey: WHOBYFHKONUTMW-LLVKDONJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4R)-4-benzyl-3-propanoyl-1,3-oxazolidin-2-one
• IUPAC Traditional name: (4R)-4-benzyl-3-propanoyl-1,3-oxazolidin-2-one
• Synonyms: (r)-(-)-4-benzyl-3-propionyl-2-oxazolidinone

Database IDs

• CAS Number: 131685-53-5

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4031994
• LogD (pH = 7.4): 2.4031994
• Log P: 2.4031994
• Molar Refractivity: 62.2478 cm^3
• Polarizability: 24.473927 Å^3
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%