N-{3-[2-(oxolan-3-yl)-1H-imidazol-1-yl]phenyl}acetamide

• ChemBase ID: 517159
• Molecular Formular: C15H17N3O2
• Molecular Mass: 271.31438
• Monoisotopic Mass: 271.1320768
• SMILES: n1(c(ncc1)C1COCC1)c1cc(NC(=O)C)ccc1
• Canonical SMILES: CC(=O)Nc1cccc(c1)n1ccnc1C1COCC1
• InChI: InChI=1S/C15H17N3O2/c1-11(19)17-13-3-2-4-14(9-13)18-7-6-16-15(18)12-5-8-20-10-12/h2-4,6-7,9,12H,5,8,10H2,1H3,(H,17,19)
• InChIKey: NGWUERKIXQXOFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{3-[2-(oxolan-3-yl)-1H-imidazol-1-yl]phenyl}acetamide
• IUPAC Traditional name: N-{3-[2-(oxolan-3-yl)imidazol-1-yl]phenyl}acetamide
• Synonyms: N-{3-[2-(tetrahydrofuran-3-yl)-1H-imidazol-1-yl]phenyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.192355
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.46866444
• LogD (pH = 7.4): 1.1858293
• Log P: 1.22953
• Molar Refractivity: 87.3058 cm^3
• Polarizability: 29.541714 Å^3
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.87
• LOG S: -1.92
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 3