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

• ChemBase ID: 800323
• Molecular Formular: C16H21NO3
• Molecular Mass: 275.34284
• Monoisotopic Mass: 275.15214354
• SMILES: O1C(=O)N([C@@H](C1)Cc1ccccc1)C(=O)CCC(C)C
• Canonical SMILES: CC(CCC(=O)N1C(=O)OC[C@H]1Cc1ccccc1)C
• InChI: InChI=1S/C16H21NO3/c1-12(2)8-9-15(18)17-14(11-20-16(17)19)10-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3/t14-/m1/s1
• InChIKey: YYUTVRHBEQTSJS-CQSZACIVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4R)-4-benzyl-3-(4-methylpentanoyl)-1,3-oxazolidin-2-one
• IUPAC Traditional name: (4R)-4-benzyl-3-(4-methylpentanoyl)-1,3-oxazolidin-2-one
• Synonyms: (R)-4-Benzyl-3-(4-methyl-pentanoyl)-oxazolidin-2-one

Database IDs

• CAS Number: 163810-26-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.579356
• LogD (pH = 7.4): 3.579356
• Log P: 3.579356
• Molar Refractivity: 75.9984 cm^3
• Polarizability: 29.98865 Å^3
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%