{imidazo[1,2-a]pyridin-3-ylmethyl}(methyl)(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)amine

• ChemBase ID: 517753
• Molecular Formular: C17H20N4O
• Molecular Mass: 296.3669
• Monoisotopic Mass: 296.16371128
• SMILES: n12c(cnc1cccc2)CN(Cc1noc2c1CCCC2)C
• Canonical SMILES: CN(Cc1cnc2n1cccc2)Cc1noc2c1CCCC2
• InChI: InChI=1S/C17H20N4O/c1-20(11-13-10-18-17-8-4-5-9-21(13)17)12-15-14-6-2-3-7-16(14)22-19-15/h4-5,8-10H,2-3,6-7,11-12H2,1H3
• InChIKey: GEYWSTVIPUVORF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {imidazo[1,2-a]pyridin-3-ylmethyl}(methyl)(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)amine
• IUPAC Traditional name: {imidazo[1,2-a]pyridin-3-ylmethyl}(methyl)(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)amine
• Synonyms: (imidazo[1,2-a]pyridin-3-ylmethyl)methyl(4,5,6,7-tetrahydro-1,2-benzisoxazol-3-ylmethyl)amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.9571231
• LogD (pH = 7.4): 1.9545033
• Log P: 2.0077856
• Molar Refractivity: 87.4027 cm^3
• Polarizability: 32.38688 Å^3
• Polar Surface Area: 46.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.9
• LOG S: -2.08
• Polar Surface Area: 46.57 Å^2
• Rotatable Bonds: 4