N-{3-[5-(1,2-oxazol-3-yl)thiophen-2-yl]phenyl}acetamide

• ChemBase ID: 860533
• Molecular Formular: C15H12N2O2S
• Molecular Mass: 284.33298
• Monoisotopic Mass: 284.06194863
• SMILES: s1c(c2nocc2)ccc1c1cc(NC(=O)C)ccc1
• Canonical SMILES: CC(=O)Nc1cccc(c1)c1ccc(s1)c1ccon1
• InChI: InChI=1S/C15H12N2O2S/c1-10(18)16-12-4-2-3-11(9-12)14-5-6-15(20-14)13-7-8-19-17-13/h2-9H,1H3,(H,16,18)
• InChIKey: GDXLLIWXYLQTOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{3-[5-(1,2-oxazol-3-yl)thiophen-2-yl]phenyl}acetamide
• IUPAC Traditional name: N-{3-[5-(1,2-oxazol-3-yl)thiophen-2-yl]phenyl}acetamide
• Synonyms: N-[3-(5-isoxazol-3-yl-2-thienyl)phenyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.157389
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.0296566
• LogD (pH = 7.4): 3.0296566
• Log P: 3.0296566
• Molar Refractivity: 78.9374 cm^3
• Polarizability: 31.771273 Å^3
• Polar Surface Area: 55.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.57
• LOG S: -3.47
• Polar Surface Area: 55.13 Å^2
• Rotatable Bonds: 3