N-{[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-methyloxolan-3-amine

• ChemBase ID: 854978
• Molecular Formular: C19H26N2O3
• Molecular Mass: 330.42134
• Monoisotopic Mass: 330.1943427
• SMILES: c1(nc(c(o1)C)CN(C1CCOC1)C)c1cc(c(cc1C)OC)C
• Canonical SMILES: COc1cc(C)c(cc1C)c1nc(c(o1)C)CN(C1COCC1)C
• InChI: InChI=1S/C19H26N2O3/c1-12-9-18(22-5)13(2)8-16(12)19-20-17(14(3)24-19)10-21(4)15-6-7-23-11-15/h8-9,15H,6-7,10-11H2,1-5H3
• InChIKey: QREDUUQHRAAQBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-methyloxolan-3-amine
• IUPAC Traditional name: N-{[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-methyloxolan-3-amine
• Synonyms: N-{[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-methyltetrahydro-3-furanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.2030491
• LogD (pH = 7.4): 2.7089648
• Log P: 2.9327352
• Molar Refractivity: 105.1949 cm^3
• Polarizability: 36.927067 Å^3
• Polar Surface Area: 47.73 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.75
• LOG S: -2.22
• Polar Surface Area: 47.73 Å^2
• Rotatable Bonds: 4