N-{[2-(2,4-dimethoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-methyloxolan-3-amine

• ChemBase ID: 542592
• Molecular Formular: C19H26N2O4
• Molecular Mass: 346.42074
• Monoisotopic Mass: 346.18925732
• SMILES: c1(nc(c(o1)C)CN(C1CCOC1)C)c1c(c(c(cc1)OC)C)OC
• Canonical SMILES: COc1c(ccc(c1C)OC)c1nc(c(o1)C)CN(C1COCC1)C
• InChI: InChI=1S/C19H26N2O4/c1-12-17(22-4)7-6-15(18(12)23-5)19-20-16(13(2)25-19)10-21(3)14-8-9-24-11-14/h6-7,14H,8-11H2,1-5H3
• InChIKey: TUEFVRTYSPSZAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[2-(2,4-dimethoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-methyloxolan-3-amine
• IUPAC Traditional name: N-{[2-(2,4-dimethoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-methyloxolan-3-amine
• Synonyms: N-{[2-(2,4-dimethoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-methyltetrahydro-3-furanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.547661
• LogD (pH = 7.4): 2.0443501
• Log P: 2.2616427
• Molar Refractivity: 106.6169 cm^3
• Polarizability: 37.69025 Å^3
• Polar Surface Area: 56.96 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.05
• LOG S: -1.65
• Polar Surface Area: 56.96 Å^2
• Rotatable Bonds: 4