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

• ChemBase ID: 357020
• Molecular Formular: C21H29N3O2
• Molecular Mass: 355.47386
• Monoisotopic Mass: 355.22597718
• SMILES: c1(noc(c1)CN(CCc1ccccc1)C)C(=O)N1CCC(CC1)CC
• Canonical SMILES: CCC1CCN(CC1)C(=O)c1noc(c1)CN(CCc1ccccc1)C
• InChI: InChI=1S/C21H29N3O2/c1-3-17-10-13-24(14-11-17)21(25)20-15-19(26-22-20)16-23(2)12-9-18-7-5-4-6-8-18/h4-8,15,17H,3,9-14,16H2,1-2H3
• InChIKey: WUMBFROBONOIQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.2306895
• LogD (pH = 7.4): 2.9542375
• Log P: 3.47812
• Molar Refractivity: 105.0792 cm^3
• Polarizability: 39.720978 Å^3
• Polar Surface Area: 49.58 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.19
• LOG S: -3.66
• Polar Surface Area: 49.58 Å^2
• Rotatable Bonds: 7