N-methyl-2-[methyl(pyridin-3-ylmethyl)amino]-N-[1-(1,2-oxazol-3-yl)ethyl]acetamide

• ChemBase ID: 782795
• Molecular Formular: C15H20N4O2
• Molecular Mass: 288.3449
• Monoisotopic Mass: 288.1586259
• SMILES: C(=O)(N(C(c1nocc1)C)C)CN(Cc1cnccc1)C
• Canonical SMILES: CN(CC(=O)N(C(c1nocc1)C)C)Cc1cccnc1
• InChI: InChI=1S/C15H20N4O2/c1-12(14-6-8-21-17-14)19(3)15(20)11-18(2)10-13-5-4-7-16-9-13/h4-9,12H,10-11H2,1-3H3
• InChIKey: VVRNVQQKPLHHEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-[methyl(pyridin-3-ylmethyl)amino]-N-[1-(1,2-oxazol-3-yl)ethyl]acetamide
• IUPAC Traditional name: N-methyl-2-[methyl(pyridin-3-ylmethyl)amino]-N-[1-(1,2-oxazol-3-yl)ethyl]acetamide
• Synonyms: N~1~-(1-isoxazol-3-ylethyl)-N~1~,N~2~-dimethyl-N~2~-(pyridin-3-ylmethyl)glycinamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.7024067
• LogD (pH = 7.4): 0.46970242
• Log P: 0.55461764
• Molar Refractivity: 80.1703 cm^3
• Polarizability: 30.635012 Å^3
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.02
• LOG S: -1.33
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 6