5-methyl-3-{[5-(2-methylprop-1-en-1-yl)-4-phenyl-1H-imidazol-1-yl]methyl}-1,2-oxazole

• ChemBase ID: 553750
• Molecular Formular: C18H19N3O
• Molecular Mass: 293.36296
• Monoisotopic Mass: 293.15281224
• SMILES: c1(n(cnc1c1ccccc1)Cc1noc(c1)C)C=C(C)C
• Canonical SMILES: CC(=Cc1n(cnc1c1ccccc1)Cc1noc(c1)C)C
• InChI: InChI=1S/C18H19N3O/c1-13(2)9-17-18(15-7-5-4-6-8-15)19-12-21(17)11-16-10-14(3)22-20-16/h4-10,12H,11H2,1-3H3
• InChIKey: WFTRACQXYSTJAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.4578376
• LogD (pH = 7.4): 3.7619886
• Log P: 3.7682788
• Molar Refractivity: 88.8751 cm^3
• Polarizability: 34.421593 Å^3
• Polar Surface Area: 43.85 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.75
• LOG S: -4.54
• Polar Surface Area: 43.85 Å^2
• Rotatable Bonds: 4