{[3-(2-ethylmorpholine-4-carbonyl)-1,2-oxazol-5-yl]methyl}(methyl)(2-phenylethyl)amine

• ChemBase ID: 399161
• Molecular Formular: C20H27N3O3
• Molecular Mass: 357.44668
• Monoisotopic Mass: 357.20524174
• SMILES: c1(C(=O)N2CC(OCC2)CC)noc(c1)CN(CCc1ccccc1)C
• Canonical SMILES: CCC1OCCN(C1)C(=O)c1noc(c1)CN(CCc1ccccc1)C
• InChI: InChI=1S/C20H27N3O3/c1-3-17-15-23(11-12-25-17)20(24)19-13-18(26-21-19)14-22(2)10-9-16-7-5-4-6-8-16/h4-8,13,17H,3,9-12,14-15H2,1-2H3
• InChIKey: OOMAVYMLRPXSTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[3-(2-ethylmorpholine-4-carbonyl)-1,2-oxazol-5-yl]methyl}(methyl)(2-phenylethyl)amine
• IUPAC Traditional name: {[3-(2-ethylmorpholine-4-carbonyl)-1,2-oxazol-5-yl]methyl}(methyl)(2-phenylethyl)amine
• Synonyms: ({3-[(2-ethylmorpholin-4-yl)carbonyl]isoxazol-5-yl}methyl)methyl(2-phenylethyl)amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.36941633
• LogD (pH = 7.4): 2.0929432
• Log P: 2.616763
• Molar Refractivity: 101.8049 cm^3
• Polarizability: 38.579456 Å^3
• Polar Surface Area: 58.81 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.64
• LOG S: -2.35
• Polar Surface Area: 58.81 Å^2
• Rotatable Bonds: 7