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

• ChemBase ID: 477662
• Molecular Formular: C20H19N5O3
• Molecular Mass: 377.39656
• Monoisotopic Mass: 377.14878949
• SMILES: c1(oc(nn1)c1ccc(NC(=O)CCn2c(ncc2)CC)cc1)c1occc1
• Canonical SMILES: CCc1nccn1CCC(=O)Nc1ccc(cc1)c1nnc(o1)c1ccco1
• InChI: InChI=1S/C20H19N5O3/c1-2-17-21-10-12-25(17)11-9-18(26)22-15-7-5-14(6-8-15)19-23-24-20(28-19)16-4-3-13-27-16/h3-8,10,12-13H,2,9,11H2,1H3,(H,22,26)
• InChIKey: FHTGALKLFVRUSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.465067
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.1486224
• LogD (pH = 7.4): 1.945637
• Log P: 2.1425772
• Molar Refractivity: 125.5581 cm^3
• Polarizability: 39.62085 Å^3
• Polar Surface Area: 98.98 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.98
• LOG S: -3.64
• Polar Surface Area: 98.98 Å^2
• Rotatable Bonds: 7