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

• ChemBase ID: 678259
• Molecular Formular: C22H20ClN3O
• Molecular Mass: 377.8667
• Monoisotopic Mass: 377.12948996
• SMILES: c1(nc(c(o1)C)CN(Cc1c2c(nccc2)ccc1)C)c1c(Cl)cccc1
• Canonical SMILES: CN(Cc1cccc2c1cccn2)Cc1nc(oc1C)c1ccccc1Cl
• InChI: InChI=1S/C22H20ClN3O/c1-15-21(25-22(27-15)18-8-3-4-10-19(18)23)14-26(2)13-16-7-5-11-20-17(16)9-6-12-24-20/h3-12H,13-14H2,1-2H3
• InChIKey: PIMATXOOJKIHGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}(methyl)(quinolin-5-ylmethyl)amine
• IUPAC Traditional name: {[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}(methyl)(quinolin-5-ylmethyl)amine
• Synonyms: 1-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methyl-N-(5-quinolinylmethyl)methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.4172251
• LogD (pH = 7.4): 4.137608
• Log P: 4.64851
• Molar Refractivity: 118.3779 cm^3
• Polarizability: 43.520245 Å^3
• Polar Surface Area: 42.16 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.11
• LOG S: -4.3
• Polar Surface Area: 42.16 Å^2
• Rotatable Bonds: 5