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

• ChemBase ID: 360511
• Molecular Formular: C18H14ClN3O3
• Molecular Mass: 355.77506
• Monoisotopic Mass: 355.072369
• SMILES: c1(n(Cc2cc(on2)c2c(Cl)cccc2)ccn1)c1oc(cc1)CO
• Canonical SMILES: OCc1ccc(o1)c1nccn1Cc1noc(c1)c1ccccc1Cl
• InChI: InChI=1S/C18H14ClN3O3/c19-15-4-2-1-3-14(15)17-9-12(21-25-17)10-22-8-7-20-18(22)16-6-5-13(11-23)24-16/h1-9,23H,10-11H2
• InChIKey: OLFOPNRJXWHCEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.705292
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.5781143
• LogD (pH = 7.4): 2.65676
• Log P: 2.6578817
• Molar Refractivity: 103.4463 cm^3
• Polarizability: 36.917633 Å^3
• Polar Surface Area: 77.22 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.13
• LOG S: -2.76
• Polar Surface Area: 77.22 Å^2
• Rotatable Bonds: 5