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

• ChemBase ID: 470383
• Molecular Formular: C16H18N4O2
• Molecular Mass: 298.33972
• Monoisotopic Mass: 298.14297584
• SMILES: c1(c(onc1C)C)CN(Cc1cc(no1)c1ncccc1)C
• Canonical SMILES: CN(Cc1c(C)noc1C)Cc1onc(c1)c1ccccn1
• InChI: InChI=1S/C16H18N4O2/c1-11-14(12(2)21-18-11)10-20(3)9-13-8-16(19-22-13)15-6-4-5-7-17-15/h4-8H,9-10H2,1-3H3
• InChIKey: GCIOBRIIGNMHRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(dimethyl-1,2-oxazol-4-yl)methyl](methyl){[3-(pyridin-2-yl)-1,2-oxazol-5-yl]methyl}amine
• IUPAC Traditional name: [(dimethyl-1,2-oxazol-4-yl)methyl](methyl){[3-(pyridin-2-yl)-1,2-oxazol-5-yl]methyl}amine
• Synonyms: 1-(3,5-dimethylisoxazol-4-yl)-N-methyl-N-[(3-pyridin-2-ylisoxazol-5-yl)methyl]methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.23855345
• LogD (pH = 7.4): 1.6520313
• Log P: 1.8203927
• Molar Refractivity: 83.9513 cm^3
• Polarizability: 32.519894 Å^3
• Polar Surface Area: 68.19 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.75
• LOG S: -1.01
• Polar Surface Area: 68.19 Å^2
• Rotatable Bonds: 5