N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-2-(2-phenyl-1H-imidazol-1-yl)acetamide

• ChemBase ID: 659723
• Molecular Formular: C17H18N4O2
• Molecular Mass: 310.35042
• Monoisotopic Mass: 310.14297584
• SMILES: n1(c(ncc1)c1ccccc1)CC(=O)N(C(c1nocc1)C)C
• Canonical SMILES: O=C(N(C(c1nocc1)C)C)Cn1ccnc1c1ccccc1
• InChI: InChI=1S/C17H18N4O2/c1-13(15-8-11-23-19-15)20(2)16(22)12-21-10-9-18-17(21)14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3
• InChIKey: NRDWLHVHMCMAQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-2-(2-phenyl-1H-imidazol-1-yl)acetamide
• IUPAC Traditional name: N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-2-(2-phenylimidazol-1-yl)acetamide
• Synonyms: N-[1-(3-isoxazolyl)ethyl]-N-methyl-2-(2-phenyl-1H-imidazol-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.3985128
• LogD (pH = 7.4): 1.9421858
• Log P: 1.9608696
• Molar Refractivity: 96.7376 cm^3
• Polarizability: 33.394978 Å^3
• Polar Surface Area: 64.16 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.76
• LOG S: -2.11
• Polar Surface Area: 64.16 Å^2
• Rotatable Bonds: 5