(4S)-3-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-phenyl-1,3-oxazolidin-2-one

• ChemBase ID: 408526
• Molecular Formular: C15H17N3O4
• Molecular Mass: 303.31318
• Monoisotopic Mass: 303.12190604
• SMILES: N1(C(=O)OC[C@@H]1c1ccccc1)Cc1nc(no1)CCOC
• Canonical SMILES: COCCc1noc(n1)CN1C(=O)OC[C@@H]1c1ccccc1
• InChI: InChI=1S/C15H17N3O4/c1-20-8-7-13-16-14(22-17-13)9-18-12(10-21-15(18)19)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3/t12-/m1/s1
• InChIKey: OELASLGQQZPUKJ-GFCCVEGCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4S)-3-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-phenyl-1,3-oxazolidin-2-one
• IUPAC Traditional name: (4S)-3-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-phenyl-1,3-oxazolidin-2-one
• Synonyms: (4S)-3-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-phenyl-1,3-oxazolidin-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.8986211
• LogD (pH = 7.4): 1.8986211
• Log P: 1.8986211
• Molar Refractivity: 78.5296 cm^3
• Polarizability: 29.784533 Å^3
• Polar Surface Area: 77.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.3
• LOG S: -2.52
• Polar Surface Area: 77.69 Å^2
• Rotatable Bonds: 6