benzyl({[3-(2,2-diethylmorpholine-4-carbonyl)-1,2-oxazol-5-yl]methyl})methylamine

• ChemBase ID: 410347
• Molecular Formular: C21H29N3O3
• Molecular Mass: 371.47326
• Monoisotopic Mass: 371.2208918
• SMILES: c1(C(=O)N2CC(OCC2)(CC)CC)noc(c1)CN(Cc1ccccc1)C
• Canonical SMILES: CCC1(CC)OCCN(C1)C(=O)c1noc(c1)CN(Cc1ccccc1)C
• InChI: InChI=1S/C21H29N3O3/c1-4-21(5-2)16-24(11-12-26-21)20(25)19-13-18(27-22-19)15-23(3)14-17-9-7-6-8-10-17/h6-10,13H,4-5,11-12,14-16H2,1-3H3
• InChIKey: KJVGMMGUGGLZCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl({[3-(2,2-diethylmorpholine-4-carbonyl)-1,2-oxazol-5-yl]methyl})methylamine
• IUPAC Traditional name: benzyl({[3-(2,2-diethylmorpholine-4-carbonyl)-1,2-oxazol-5-yl]methyl})methylamine
• Synonyms: N-benzyl-1-{3-[(2,2-diethylmorpholin-4-yl)carbonyl]isoxazol-5-yl}-N-methylmethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.5677216
• LogD (pH = 7.4): 2.968876
• Log P: 3.131201
• Molar Refractivity: 106.2121 cm^3
• Polarizability: 40.492077 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: 1.48
• LOG S: -3.17
• Polar Surface Area: 58.81 Å^2
• Rotatable Bonds: 7