2-{3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]phenoxy}acetamide

• ChemBase ID: 446410
• Molecular Formular: C14H15N3O4
• Molecular Mass: 289.2866
• Monoisotopic Mass: 289.10625598
• SMILES: n1c(noc1c1cc(OCC(=O)N)ccc1)C1COCC1
• Canonical SMILES: NC(=O)COc1cccc(c1)c1onc(n1)C1COCC1
• InChI: InChI=1S/C14H15N3O4/c15-12(18)8-20-11-3-1-2-9(6-11)14-16-13(17-21-14)10-4-5-19-7-10/h1-3,6,10H,4-5,7-8H2,(H2,15,18)
• InChIKey: GFGBVEAYEXZKCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]phenoxy}acetamide
• IUPAC Traditional name: 2-{3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]phenoxy}acetamide
• Synonyms: 2-{3-[3-(tetrahydrofuran-3-yl)-1,2,4-oxadiazol-5-yl]phenoxy}acetamide

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 100.47 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 14.811475
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.9231142
• LogD (pH = 7.4): 0.92311424
• Log P: 0.92311424
• Molar Refractivity: 84.7658 cm^3
• Polarizability: 28.597454 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 100.47 Å^2
• Rotatable Bonds: 5
• H Acceptors: 6
• H Donor: 1
• Log P: 0.52
• LOG S: -1.75