3-({[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}(methyl)amino)-N-methylpropanamide

• ChemBase ID: 850930
• Molecular Formular: C19H27N3O3
• Molecular Mass: 345.43598
• Monoisotopic Mass: 345.20524174
• SMILES: c1(nc(c(o1)C)CN(CCC(=O)NC)C)c1c(c(c(cc1)OC)C)C
• Canonical SMILES: CNC(=O)CCN(Cc1nc(oc1C)c1ccc(c(c1C)C)OC)C
• InChI: InChI=1S/C19H27N3O3/c1-12-13(2)17(24-6)8-7-15(12)19-21-16(14(3)25-19)11-22(5)10-9-18(23)20-4/h7-8H,9-11H2,1-6H3,(H,20,23)
• InChIKey: BCDAOQSEZCKKLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-({[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}(methyl)amino)-N-methylpropanamide
• IUPAC Traditional name: 3-({[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}(methyl)amino)-N-methylpropanamide
• Synonyms: N~3~-{[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N~1~,N~3~-dimethyl-beta-alaninamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.523218
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.039747678
• LogD (pH = 7.4): 1.7268386
• Log P: 2.1632385
• Molar Refractivity: 109.0877 cm^3
• Polarizability: 38.172832 Å^3
• Polar Surface Area: 67.6 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: 2.81
• LOG S: -4.12
• Polar Surface Area: 67.6 Å^2
• Rotatable Bonds: 7