(4S)-4-phenyl-3-(pyrimidin-2-ylmethyl)-1,3-oxazolidin-2-one

• ChemBase ID: 774947
• Molecular Formular: C14H13N3O2
• Molecular Mass: 255.27192
• Monoisotopic Mass: 255.10077667
• SMILES: N1(C(=O)OC[C@@H]1c1ccccc1)Cc1ncccn1
• Canonical SMILES: O=C1OC[C@@H](N1Cc1ncccn1)c1ccccc1
• InChI: InChI=1S/C14H13N3O2/c18-14-17(9-13-15-7-4-8-16-13)12(10-19-14)11-5-2-1-3-6-11/h1-8,12H,9-10H2/t12-/m1/s1
• InChIKey: XVUONBXBXZTNLW-GFCCVEGCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4S)-4-phenyl-3-(pyrimidin-2-ylmethyl)-1,3-oxazolidin-2-one
• IUPAC Traditional name: (4S)-4-phenyl-3-(pyrimidin-2-ylmethyl)-1,3-oxazolidin-2-one
• Synonyms: (4S)-4-phenyl-3-(pyrimidin-2-ylmethyl)-1,3-oxazolidin-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9784883
• LogD (pH = 7.4): 1.9784937
• Log P: 1.9784937
• Molar Refractivity: 68.9843 cm^3
• Polarizability: 26.673685 Å^3
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.47
• LOG S: -2.32
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 3