{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}(2-methoxyethyl)(propan-2-yl)amine

• ChemBase ID: 631605
• Molecular Formular: C17H23ClN2O2
• Molecular Mass: 322.82972
• Monoisotopic Mass: 322.14480567
• SMILES: n1c(c(oc1c1ccc(cc1)Cl)C)CN(C(C)C)CCOC
• Canonical SMILES: COCCN(C(C)C)Cc1nc(oc1C)c1ccc(cc1)Cl
• InChI: InChI=1S/C17H23ClN2O2/c1-12(2)20(9-10-21-4)11-16-13(3)22-17(19-16)14-5-7-15(18)8-6-14/h5-8,12H,9-11H2,1-4H3
• InChIKey: CLWVTYRRQMJGFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}(2-methoxyethyl)(propan-2-yl)amine
• IUPAC Traditional name: {[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}(isopropyl)(2-methoxyethyl)amine
• Synonyms: N-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-(2-methoxyethyl)-2-propanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.2228272
• LogD (pH = 7.4): 2.9519486
• Log P: 3.4927895
• Molar Refractivity: 100.0549 cm^3
• Polarizability: 35.31913 Å^3
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.65
• LOG S: -2.44
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 5