3-ethyl-5-(2-{2-[2-(furan-2-yl)phenyl]-1H-imidazol-1-yl}ethyl)-1,2,4-oxadiazole

• ChemBase ID: 620810
• Molecular Formular: C19H18N4O2
• Molecular Mass: 334.37182
• Monoisotopic Mass: 334.14297584
• SMILES: c1(n(ccn1)CCc1nc(no1)CC)c1c(c2occc2)cccc1
• Canonical SMILES: CCc1noc(n1)CCn1ccnc1c1ccccc1c1ccco1
• InChI: InChI=1S/C19H18N4O2/c1-2-17-21-18(25-22-17)9-11-23-12-10-20-19(23)15-7-4-3-6-14(15)16-8-5-13-24-16/h3-8,10,12-13H,2,9,11H2,1H3
• InChIKey: ZUVHMTHNYWNCAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethyl-5-(2-{2-[2-(furan-2-yl)phenyl]-1H-imidazol-1-yl}ethyl)-1,2,4-oxadiazole
• IUPAC Traditional name: 3-ethyl-5-(2-{2-[2-(furan-2-yl)phenyl]imidazol-1-yl}ethyl)-1,2,4-oxadiazole
• Synonyms: 3-ethyl-5-(2-{2-[2-(2-furyl)phenyl]-1H-imidazol-1-yl}ethyl)-1,2,4-oxadiazole

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Log P: 2.66
• LOG S: -3.91
• Polar Surface Area: 69.88 Å^2
• Rotatable Bonds: 6
• H Acceptors: 5
• H Donor: 0

JChem

• Molar Refractivity: 105.0446 cm^3
• Polarizability: 37.057667 Å^3
• Polar Surface Area: 69.88 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.3508296
• LogD (pH = 7.4): 3.865751
• Log P: 3.8811672