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

• ChemBase ID: 677153
• Molecular Formular: C19H23N3O3
• Molecular Mass: 341.40422
• Monoisotopic Mass: 341.17394161
• SMILES: n1c(c(oc1c1cc(c(cc1)OC)C)C)CN(C(c1nocc1)C)C
• Canonical SMILES: COc1ccc(cc1C)c1nc(c(o1)C)CN(C(c1nocc1)C)C
• InChI: InChI=1S/C19H23N3O3/c1-12-10-15(6-7-18(12)23-5)19-20-17(14(3)25-19)11-22(4)13(2)16-8-9-24-21-16/h6-10,13H,11H2,1-5H3
• InChIKey: MOLJMXAXTIBCCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.729606
• LogD (pH = 7.4): 3.2445602
• Log P: 3.257342
• Molar Refractivity: 106.5699 cm^3
• Polarizability: 37.09149 Å^3
• Polar Surface Area: 64.53 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: 2.55
• LOG S: -2.77
• Polar Surface Area: 64.53 Å^2
• Rotatable Bonds: 5