[(dimethyl-1,2-oxazol-4-yl)methyl](1-phenoxypropan-2-yl)amine

• ChemBase ID: 508155
• Molecular Formular: C15H20N2O2
• Molecular Mass: 260.3315
• Monoisotopic Mass: 260.15247789
• SMILES: c1(c(onc1C)C)CNC(COc1ccccc1)C
• Canonical SMILES: CC(NCc1c(C)noc1C)COc1ccccc1
• InChI: InChI=1S/C15H20N2O2/c1-11(10-18-14-7-5-4-6-8-14)16-9-15-12(2)17-19-13(15)3/h4-8,11,16H,9-10H2,1-3H3
• InChIKey: WRNMNIFYNHVZEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(dimethyl-1,2-oxazol-4-yl)methyl](1-phenoxypropan-2-yl)amine
• IUPAC Traditional name: [(dimethyl-1,2-oxazol-4-yl)methyl](1-phenoxypropan-2-yl)amine
• Synonyms: N-[(3,5-dimethylisoxazol-4-yl)methyl]-1-phenoxypropan-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.4548163
• LogD (pH = 7.4): 1.2424315
• Log P: 2.2876961
• Molar Refractivity: 75.4602 cm^3
• Polarizability: 28.994665 Å^3
• Polar Surface Area: 47.29 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.2
• LOG S: -1.97
• Polar Surface Area: 47.29 Å^2
• Rotatable Bonds: 6