[(3,5-dimethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl][2-(2-methoxyphenoxy)ethyl]amine

• ChemBase ID: 862789
• Molecular Formular: C15H22N2O3
• Molecular Mass: 278.34678
• Monoisotopic Mass: 278.16304257
• SMILES: N1=C(CC(O1)(CNCCOc1c(OC)cccc1)C)C
• Canonical SMILES: COc1ccccc1OCCNCC1(C)ON=C(C1)C
• InChI: InChI=1S/C15H22N2O3/c1-12-10-15(2,20-17-12)11-16-8-9-19-14-7-5-4-6-13(14)18-3/h4-7,16H,8-11H2,1-3H3
• InChIKey: UFJJLLZKRVQHLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3,5-dimethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl][2-(2-methoxyphenoxy)ethyl]amine
• IUPAC Traditional name: [(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl][2-(2-methoxyphenoxy)ethyl]amine
• Synonyms: N-[(3,5-dimethyl-4,5-dihydroisoxazol-5-yl)methyl]-2-(2-methoxyphenoxy)ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.023103
• LogD (pH = 7.4): 0.58306926
• Log P: 1.8943807
• Molar Refractivity: 76.6873 cm^3
• Polarizability: 30.474434 Å^3
• Polar Surface Area: 52.08 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.17
• LOG S: -3.08
• Polar Surface Area: 52.08 Å^2
• Rotatable Bonds: 7