5-(furan-2-yl)-3-[(4-phenyl-5-propyl-1H-imidazol-1-yl)methyl]-1,2-oxazole

• ChemBase ID: 315817
• Molecular Formular: C20H19N3O2
• Molecular Mass: 333.38376
• Monoisotopic Mass: 333.14772686
• SMILES: n1c(c(n(c1)Cc1cc(on1)c1occc1)CCC)c1ccccc1
• Canonical SMILES: CCCc1n(cnc1c1ccccc1)Cc1noc(c1)c1ccco1
• InChI: InChI=1S/C20H19N3O2/c1-2-7-17-20(15-8-4-3-5-9-15)21-14-23(17)13-16-12-19(25-22-16)18-10-6-11-24-18/h3-6,8-12,14H,2,7,13H2,1H3
• InChIKey: UEGDHMLQDIYDAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(furan-2-yl)-3-[(4-phenyl-5-propyl-1H-imidazol-1-yl)methyl]-1,2-oxazole
• IUPAC Traditional name: 5-(furan-2-yl)-3-[(4-phenyl-5-propylimidazol-1-yl)methyl]-1,2-oxazole
• Synonyms: 5-(2-furyl)-3-[(4-phenyl-5-propyl-1H-imidazol-1-yl)methyl]isoxazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.4793298
• LogD (pH = 7.4): 4.054262
• Log P: 4.0761433
• Molar Refractivity: 95.8854 cm^3
• Polarizability: 38.74055 Å^3
• Polar Surface Area: 56.99 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.34
• LOG S: -5.34
• Polar Surface Area: 56.99 Å^2
• Rotatable Bonds: 6