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

• ChemBase ID: 316400
• Molecular Formular: C19H20ClN3O
• Molecular Mass: 341.8346
• Monoisotopic Mass: 341.12948996
• SMILES: n1c(c(oc1c1ccc(cc1)Cl)C)CN(CCc1ncccc1)C
• Canonical SMILES: CN(Cc1nc(oc1C)c1ccc(cc1)Cl)CCc1ccccn1
• InChI: InChI=1S/C19H20ClN3O/c1-14-18(13-23(2)12-10-17-5-3-4-11-21-17)22-19(24-14)15-6-8-16(20)9-7-15/h3-9,11H,10,12-13H2,1-2H3
• InChIKey: WTPKZCKOYJKUMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}(methyl)[2-(pyridin-2-yl)ethyl]amine
• IUPAC Traditional name: {[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}(methyl)[2-(pyridin-2-yl)ethyl]amine
• Synonyms: N-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-methyl-2-(2-pyridinyl)ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.408129
• LogD (pH = 7.4): 3.1192727
• Log P: 3.5916674
• Molar Refractivity: 106.4769 cm^3
• Polarizability: 37.722855 Å^3
• Polar Surface Area: 42.16 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: 3.3
• LOG S: -4.27
• Polar Surface Area: 42.16 Å^2
• Rotatable Bonds: 6