{[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}(methyl)(quinoxalin-6-ylmethyl)amine

• ChemBase ID: 330090
• Molecular Formular: C21H19ClN4O
• Molecular Mass: 378.85476
• Monoisotopic Mass: 378.12473893
• SMILES: c1(nc(c(o1)C)CN(Cc1cc2nccnc2cc1)C)c1c(Cl)cccc1
• Canonical SMILES: CN(Cc1nc(oc1C)c1ccccc1Cl)Cc1ccc2c(c1)nccn2
• InChI: InChI=1S/C21H19ClN4O/c1-14-20(25-21(27-14)16-5-3-4-6-17(16)22)13-26(2)12-15-7-8-18-19(11-15)24-10-9-23-18/h3-11H,12-13H2,1-2H3
• InChIKey: CVDLRSPZOFWTIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}(methyl)(quinoxalin-6-ylmethyl)amine
• IUPAC Traditional name: {[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}(methyl)(quinoxalin-6-ylmethyl)amine
• Synonyms: 1-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methyl-N-(6-quinoxalinylmethyl)methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.0727043
• LogD (pH = 7.4): 3.5868995
• Log P: 3.8166878
• Molar Refractivity: 115.849 cm^3
• Polarizability: 42.610332 Å^3
• Polar Surface Area: 55.05 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: 3.36
• LOG S: -3.85
• Polar Surface Area: 55.05 Å^2
• Rotatable Bonds: 5