N-{[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-methyloxan-4-amine

• ChemBase ID: 624387
• Molecular Formular: C19H26N2O3
• Molecular Mass: 330.42134
• Monoisotopic Mass: 330.1943427
• SMILES: c1(nc(c(o1)C)CN(C1CCOCC1)C)c1c(OCC)cccc1
• Canonical SMILES: CCOc1ccccc1c1nc(c(o1)C)CN(C1CCOCC1)C
• InChI: InChI=1S/C19H26N2O3/c1-4-23-18-8-6-5-7-16(18)19-20-17(14(2)24-19)13-21(3)15-9-11-22-12-10-15/h5-8,15H,4,9-13H2,1-3H3
• InChIKey: UCPRTTNRCPHILS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-methyloxan-4-amine
• IUPAC Traditional name: N-{[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-methyloxan-4-amine
• Synonyms: N-{[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-methyltetrahydro-2H-pyran-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.3526727
• LogD (pH = 7.4): 1.4209471
• Log P: 2.3226602
• Molar Refractivity: 104.7265 cm^3
• Polarizability: 37.088394 Å^3
• Polar Surface Area: 47.73 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.59
• LOG S: -2.22
• Polar Surface Area: 47.73 Å^2
• Rotatable Bonds: 4