4-(1-{[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl}-1H-imidazol-2-yl)quinoline

• ChemBase ID: 552743
• Molecular Formular: C20H14N4O2
• Molecular Mass: 342.35076
• Monoisotopic Mass: 342.11167571
• SMILES: c1(n(Cc2cc(on2)c2occc2)ccn1)c1c2c(ncc1)cccc2
• Canonical SMILES: c1coc(c1)c1onc(c1)Cn1ccnc1c1ccnc2c1cccc2
• InChI: InChI=1S/C20H14N4O2/c1-2-5-17-15(4-1)16(7-8-21-17)20-22-9-10-24(20)13-14-12-19(26-23-14)18-6-3-11-25-18/h1-12H,13H2
• InChIKey: IWBGJPPRSAUWEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1-{[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl}-1H-imidazol-2-yl)quinoline
• IUPAC Traditional name: 4-(1-{[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl}imidazol-2-yl)quinoline
• Synonyms: 4-(1-{[5-(2-furyl)isoxazol-3-yl]methyl}-1H-imidazol-2-yl)quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.5594478
• LogD (pH = 7.4): 3.0446377
• Log P: 3.0588403
• Molar Refractivity: 105.8694 cm^3
• Polarizability: 39.23175 Å^3
• Polar Surface Area: 69.88 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.45
• LOG S: -3.79
• Polar Surface Area: 69.88 Å^2
• Rotatable Bonds: 4