N-tert-butyl-2-[4-({[(dimethyl-1,2-oxazol-4-yl)methyl](methyl)amino}methyl)phenoxy]acetamide

• ChemBase ID: 550483
• Molecular Formular: C20H29N3O3
• Molecular Mass: 359.46256
• Monoisotopic Mass: 359.2208918
• SMILES: c1(c(onc1C)C)CN(Cc1ccc(OCC(=O)NC(C)(C)C)cc1)C
• Canonical SMILES: O=C(NC(C)(C)C)COc1ccc(cc1)CN(Cc1c(C)noc1C)C
• InChI: InChI=1S/C20H29N3O3/c1-14-18(15(2)26-22-14)12-23(6)11-16-7-9-17(10-8-16)25-13-19(24)21-20(3,4)5/h7-10H,11-13H2,1-6H3,(H,21,24)
• InChIKey: QEAPXHOWPUYVLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-tert-butyl-2-[4-({[(dimethyl-1,2-oxazol-4-yl)methyl](methyl)amino}methyl)phenoxy]acetamide
• IUPAC Traditional name: N-tert-butyl-2-[4-({[(dimethyl-1,2-oxazol-4-yl)methyl](methyl)amino}methyl)phenoxy]acetamide
• Synonyms: N-(tert-butyl)-2-(4-{[[(3,5-dimethylisoxazol-4-yl)methyl](methyl)amino]methyl}phenoxy)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.916152
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.025534049
• LogD (pH = 7.4): 1.7046283
• Log P: 2.1255977
• Molar Refractivity: 103.4688 cm^3
• Polarizability: 39.409664 Å^3
• Polar Surface Area: 67.6 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.66
• LOG S: -4.09
• Polar Surface Area: 67.6 Å^2
• Rotatable Bonds: 8