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

• ChemBase ID: 574381
• Molecular Formular: C20H18N6O2
• Molecular Mass: 374.39592
• Monoisotopic Mass: 374.14912385
• SMILES: c1(nc(on1)CCNC(=O)Cn1c(ncc1)c1ccccc1)c1ncccc1
• Canonical SMILES: O=C(Cn1ccnc1c1ccccc1)NCCc1onc(n1)c1ccccn1
• InChI: InChI=1S/C20H18N6O2/c27-17(14-26-13-12-23-20(26)15-6-2-1-3-7-15)22-11-9-18-24-19(25-28-18)16-8-4-5-10-21-16/h1-8,10,12-13H,9,11,14H2,(H,22,27)
• InChIKey: OFDZCHFPSKWQSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-phenyl-1H-imidazol-1-yl)-N-{2-[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl}acetamide
• IUPAC Traditional name: 2-(2-phenylimidazol-1-yl)-N-{2-[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl}acetamide
• Synonyms: 2-(2-phenyl-1H-imidazol-1-yl)-N-{2-[3-(2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.922534
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.8982154
• LogD (pH = 7.4): 2.465119
• Log P: 2.4841862
• Molar Refractivity: 123.9519 cm^3
• Polarizability: 40.075806 Å^3
• Polar Surface Area: 98.73 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: 1.25
• LOG S: -3.0
• Polar Surface Area: 98.73 Å^2
• Rotatable Bonds: 7