3-{2-[5-(2-methylprop-1-en-1-yl)-4-phenyl-1H-imidazol-1-yl]ethyl}-1,3-oxazolidin-2-one

• ChemBase ID: 349134
• Molecular Formular: C18H21N3O2
• Molecular Mass: 311.37824
• Monoisotopic Mass: 311.16337693
• SMILES: c1(c(ncn1CCN1C(=O)OCC1)c1ccccc1)C=C(C)C
• Canonical SMILES: CC(=Cc1n(CCN2CCOC2=O)cnc1c1ccccc1)C
• InChI: InChI=1S/C18H21N3O2/c1-14(2)12-16-17(15-6-4-3-5-7-15)19-13-21(16)9-8-20-10-11-23-18(20)22/h3-7,12-13H,8-11H2,1-2H3
• InChIKey: DBRIHMDSGNOMKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{2-[5-(2-methylprop-1-en-1-yl)-4-phenyl-1H-imidazol-1-yl]ethyl}-1,3-oxazolidin-2-one
• IUPAC Traditional name: 3-{2-[5-(2-methylprop-1-en-1-yl)-4-phenylimidazol-1-yl]ethyl}-1,3-oxazolidin-2-one
• Synonyms: 3-{2-[5-(2-methylprop-1-en-1-yl)-4-phenyl-1H-imidazol-1-yl]ethyl}-1,3-oxazolidin-2-one

CALCULATED PROPERTIES

JChem

• Polarizability: 35.680172 Å^3
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.763164
• LogD (pH = 7.4): 3.0846646
• Log P: 3.091532
• Molar Refractivity: 90.1379 cm^3

供应商提供(Chembridge)

• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 5
• H Acceptors: 3
• H Donor: 0
• Log P: 3.45
• LOG S: -4.42