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

• ChemBase ID: 800300
• Molecular Formular: C16H19NO3
• Molecular Mass: 273.32696
• Monoisotopic Mass: 273.13649347
• SMILES: O1C(=O)N([C@@H](C1)Cc1ccccc1)C(=O)CCC1CC1
• Canonical SMILES: O=C(N1C(=O)OC[C@H]1Cc1ccccc1)CCC1CC1
• InChI: InChI=1S/C16H19NO3/c18-15(9-8-12-6-7-12)17-14(11-20-16(17)19)10-13-4-2-1-3-5-13/h1-5,12,14H,6-11H2/t14-/m1/s1
• InChIKey: SNVWYQBGGSCYPI-CQSZACIVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4R)-4-benzyl-3-(3-cyclopropylpropanoyl)-1,3-oxazolidin-2-one
• IUPAC Traditional name: (4R)-4-benzyl-3-(3-cyclopropylpropanoyl)-1,3-oxazolidin-2-one
• Synonyms: (R)-4-Benzyl-3-(3-cyclopropyl-propionyl)-oxazolidin-2-one

Database IDs

• CAS Number: 289677-11-8

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.11563
• LogD (pH = 7.4): 3.11563
• Log P: 3.11563
• Molar Refractivity: 74.1962 cm^3
• Polarizability: 29.264015 Å^3
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%