3-({2-[5-(2-fluorophenyl)furan-2-yl]-1H-imidazol-1-yl}methyl)-5-(oxolan-2-yl)-1,2,4-oxadiazole

• ChemBase ID: 512142
• Molecular Formular: C20H17FN4O3
• Molecular Mass: 380.3723832
• Monoisotopic Mass: 380.12846864
• SMILES: n1c(onc1Cn1c(c2oc(c3c(F)cccc3)cc2)ncc1)C1OCCC1
• Canonical SMILES: Fc1ccccc1c1ccc(o1)c1nccn1Cc1noc(n1)C1CCCO1
• InChI: InChI=1S/C20H17FN4O3/c21-14-5-2-1-4-13(14)15-7-8-16(27-15)19-22-9-10-25(19)12-18-23-20(28-24-18)17-6-3-11-26-17/h1-2,4-5,7-10,17H,3,6,11-12H2
• InChIKey: SYDUWJFPCJQNTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.3024602
• LogD (pH = 7.4): 3.3830826
• Log P: 3.3842306
• Molar Refractivity: 109.5519 cm^3
• Polarizability: 38.71047 Å^3
• Polar Surface Area: 79.11 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.08
• LOG S: -3.75
• Polar Surface Area: 79.11 Å^2
• Rotatable Bonds: 5