(4S)-3-[(4-methoxypyridin-2-yl)methyl]-4-phenyl-1,3-oxazolidin-2-one

• ChemBase ID: 666537
• Molecular Formular: C16H16N2O3
• Molecular Mass: 284.30984
• Monoisotopic Mass: 284.11609238
• SMILES: N1(C(=O)OC[C@@H]1c1ccccc1)Cc1nccc(c1)OC
• Canonical SMILES: COc1ccnc(c1)CN1C(=O)OC[C@@H]1c1ccccc1
• InChI: InChI=1S/C16H16N2O3/c1-20-14-7-8-17-13(9-14)10-18-15(11-21-16(18)19)12-5-3-2-4-6-12/h2-9,15H,10-11H2,1H3/t15-/m1/s1
• InChIKey: QUIZOGQGDFLBIO-OAHLLOKOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4S)-3-[(4-methoxypyridin-2-yl)methyl]-4-phenyl-1,3-oxazolidin-2-one
• IUPAC Traditional name: (4S)-3-[(4-methoxypyridin-2-yl)methyl]-4-phenyl-1,3-oxazolidin-2-one
• Synonyms: (4S)-3-[(4-methoxypyridin-2-yl)methyl]-4-phenyl-1,3-oxazolidin-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7729481
• LogD (pH = 7.4): 2.0738819
• Log P: 2.0796714
• Molar Refractivity: 76.5934 cm^3
• Polarizability: 30.0765 Å^3
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.92
• LOG S: -2.91
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 4