3-methoxy-N-{2-[3-(pyridazin-3-yl)-1,2,4-oxadiazol-5-yl]ethyl}benzamide

• ChemBase ID: 385174
• Molecular Formular: C16H15N5O3
• Molecular Mass: 325.322
• Monoisotopic Mass: 325.11748937
• SMILES: c1(nc(on1)CCNC(=O)c1cc(OC)ccc1)c1nnccc1
• Canonical SMILES: COc1cccc(c1)C(=O)NCCc1onc(n1)c1cccnn1
• InChI: InChI=1S/C16H15N5O3/c1-23-12-5-2-4-11(10-12)16(22)17-9-7-14-19-15(21-24-14)13-6-3-8-18-20-13/h2-6,8,10H,7,9H2,1H3,(H,17,22)
• InChIKey: HUUMWMMUZZYOEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-N-{2-[3-(pyridazin-3-yl)-1,2,4-oxadiazol-5-yl]ethyl}benzamide
• IUPAC Traditional name: 3-methoxy-N-{2-[3-(pyridazin-3-yl)-1,2,4-oxadiazol-5-yl]ethyl}benzamide
• Synonyms: 3-methoxy-N-{2-[3-(3-pyridazinyl)-1,2,4-oxadiazol-5-yl]ethyl}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.603873
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.066883
• LogD (pH = 7.4): 1.0668849
• Log P: 1.0668849
• Molar Refractivity: 98.4969 cm^3
• Polarizability: 32.62218 Å^3
• Polar Surface Area: 103.03 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 0.82
• LOG S: -2.27
• Polar Surface Area: 103.03 Å^2
• Rotatable Bonds: 6