(4R)-3-benzoyl-4-ethyl-4-methyl-2-phenyl-1,3-oxazolidin-5-one

• ChemBase ID: 801375
• Molecular Formular: C19H19NO3
• Molecular Mass: 309.35906
• Monoisotopic Mass: 309.13649347
• SMILES: O1C(N([C@](C1=O)(C)CC)C(=O)c1ccccc1)c1ccccc1
• Canonical SMILES: CC[C@]1(C)C(=O)OC(N1C(=O)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C19H19NO3/c1-3-19(2)18(22)23-17(15-12-8-5-9-13-15)20(19)16(21)14-10-6-4-7-11-14/h4-13,17H,3H2,1-2H3/t17?,19-/m1/s1
• InChIKey: DYWWDZQRZYAPHQ-WHCXFUJUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4R)-3-benzoyl-4-ethyl-4-methyl-2-phenyl-1,3-oxazolidin-5-one
• IUPAC Traditional name: (4R)-3-benzoyl-4-ethyl-4-methyl-2-phenyl-1,3-oxazolidin-5-one
• Synonyms: (4R)-3-BENZOYL-4-ETHYL-4-METHYL-2-PHENYL-1,3-OXAZOLIDIN-5-ONE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.297994
• LogD (pH = 7.4): 4.297994
• Log P: 4.297994
• Molar Refractivity: 86.8959 cm^3
• Polarizability: 33.830326 Å^3
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%