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

• ChemBase ID: 416612
• Molecular Formular: C16H14N4O2
• Molecular Mass: 294.30796
• Monoisotopic Mass: 294.11167571
• SMILES: n1c(onc1C)c1cc(c2cc(NC(=O)C)ccc2)ncc1
• Canonical SMILES: CC(=O)Nc1cccc(c1)c1nccc(c1)c1onc(n1)C
• InChI: InChI=1S/C16H14N4O2/c1-10-18-16(22-20-10)13-6-7-17-15(9-13)12-4-3-5-14(8-12)19-11(2)21/h3-9H,1-2H3,(H,19,21)
• InChIKey: XAURXLBVXHMPTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.127409
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.4973323
• LogD (pH = 7.4): 2.4973912
• Log P: 2.4973922
• Molar Refractivity: 93.8704 cm^3
• Polarizability: 32.41258 Å^3
• Polar Surface Area: 80.91 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.47
• LOG S: -2.6
• Polar Surface Area: 80.91 Å^2
• Rotatable Bonds: 3