methyl[(2-methyl-1,3-oxazol-4-yl)methyl][(4-phenoxyphenyl)methyl]amine

• ChemBase ID: 477469
• Molecular Formular: C19H20N2O2
• Molecular Mass: 308.3743
• Monoisotopic Mass: 308.15247789
• SMILES: n1c(coc1C)CN(Cc1ccc(Oc2ccccc2)cc1)C
• Canonical SMILES: CN(Cc1coc(n1)C)Cc1ccc(cc1)Oc1ccccc1
• InChI: InChI=1S/C19H20N2O2/c1-15-20-17(14-22-15)13-21(2)12-16-8-10-19(11-9-16)23-18-6-4-3-5-7-18/h3-11,14H,12-13H2,1-2H3
• InChIKey: MFYQFYOYLSSGPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(2-methyl-1,3-oxazol-4-yl)methyl][(4-phenoxyphenyl)methyl]amine
• IUPAC Traditional name: methyl[(2-methyl-1,3-oxazol-4-yl)methyl][(4-phenoxyphenyl)methyl]amine
• Synonyms: N-methyl-1-(2-methyl-1,3-oxazol-4-yl)-N-(4-phenoxybenzyl)methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0976744
• LogD (pH = 7.4): 3.2130706
• Log P: 3.285831
• Molar Refractivity: 90.082 cm^3
• Polarizability: 35.045116 Å^3
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.79
• LOG S: -3.68
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 6