3-{[(3-ethyl-1,2-oxazol-5-yl)methyl](methyl)amino}-N-(pyridin-3-yl)propanamide

• ChemBase ID: 639180
• Molecular Formular: C15H20N4O2
• Molecular Mass: 288.3449
• Monoisotopic Mass: 288.1586259
• SMILES: c1(onc(c1)CC)CN(CCC(=O)Nc1cnccc1)C
• Canonical SMILES: CCc1noc(c1)CN(CCC(=O)Nc1cccnc1)C
• InChI: InChI=1S/C15H20N4O2/c1-3-12-9-14(21-18-12)11-19(2)8-6-15(20)17-13-5-4-7-16-10-13/h4-5,7,9-10H,3,6,8,11H2,1-2H3,(H,17,20)
• InChIKey: RWXKQNHTAAYQJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{[(3-ethyl-1,2-oxazol-5-yl)methyl](methyl)amino}-N-(pyridin-3-yl)propanamide
• IUPAC Traditional name: 3-{[(3-ethyl-1,2-oxazol-5-yl)methyl](methyl)amino}-N-(pyridin-3-yl)propanamide
• Synonyms: 3-[[(3-ethylisoxazol-5-yl)methyl](methyl)amino]-N-pyridin-3-ylpropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.672908
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.3491956
• LogD (pH = 7.4): 0.41130224
• Log P: 0.96272063
• Molar Refractivity: 82.043 cm^3
• Polarizability: 30.549345 Å^3
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.46
• LOG S: -2.55
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 7