{[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}(methyl)[1-(1,2-oxazol-3-yl)ethyl]amine

• ChemBase ID: 582264
• Molecular Formular: C19H23N3O3
• Molecular Mass: 341.40422
• Monoisotopic Mass: 341.17394161
• SMILES: c1(nc(c(o1)C)CN(C(c1nocc1)C)C)c1c(OCC)cccc1
• Canonical SMILES: CCOc1ccccc1c1nc(c(o1)C)CN(C(c1nocc1)C)C
• InChI: InChI=1S/C19H23N3O3/c1-5-23-18-9-7-6-8-15(18)19-20-17(14(3)25-19)12-22(4)13(2)16-10-11-24-21-16/h6-11,13H,5,12H2,1-4H3
• InChIKey: AQOIBFRQWMIABM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}(methyl)[1-(1,2-oxazol-3-yl)ethyl]amine
• IUPAC Traditional name: {[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}(methyl)[1-(1,2-oxazol-3-yl)ethyl]amine
• Synonyms: N-{[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1-(3-isoxazolyl)-N-methylethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.5849097
• LogD (pH = 7.4): 3.088432
• Log P: 3.1007288
• Molar Refractivity: 106.2773 cm^3
• Polarizability: 37.17429 Å^3
• Polar Surface Area: 64.53 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.02
• LOG S: -2.57
• Polar Surface Area: 64.53 Å^2
• Rotatable Bonds: 5