5-(furan-2-yl)-3-{[2-(7-methoxy-2H-1,3-benzodioxol-5-yl)-1H-imidazol-1-yl]methyl}-1,2-oxazole

• ChemBase ID: 632914
• Molecular Formular: C19H15N3O5
• Molecular Mass: 365.3395
• Monoisotopic Mass: 365.1011706
• SMILES: c1(n(Cc2cc(on2)c2occc2)ccn1)c1cc2c(c(c1)OC)OCO2
• Canonical SMILES: COc1cc(cc2c1OCO2)c1nccn1Cc1noc(c1)c1ccco1
• InChI: InChI=1S/C19H15N3O5/c1-23-16-7-12(8-17-18(16)26-11-25-17)19-20-4-5-22(19)10-13-9-15(27-21-13)14-3-2-6-24-14/h2-9H,10-11H2,1H3
• InChIKey: IOPTXKKPSNFUND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(furan-2-yl)-3-{[2-(7-methoxy-2H-1,3-benzodioxol-5-yl)-1H-imidazol-1-yl]methyl}-1,2-oxazole
• IUPAC Traditional name: 5-(furan-2-yl)-3-{[2-(7-methoxy-2H-1,3-benzodioxol-5-yl)imidazol-1-yl]methyl}-1,2-oxazole
• Synonyms: 5-(2-furyl)-3-{[2-(7-methoxy-1,3-benzodioxol-5-yl)-1H-imidazol-1-yl]methyl}isoxazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.8206854
• LogD (pH = 7.4): 2.3492682
• Log P: 2.3667479
• Molar Refractivity: 104.1782 cm^3
• Polarizability: 37.576084 Å^3
• Polar Surface Area: 84.68 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 2.19
• LOG S: -3.73
• Polar Surface Area: 84.68 Å^2
• Rotatable Bonds: 5