{imidazo[1,2-a]pyridin-3-ylmethyl}(methyl){[2-(propan-2-yl)-1,3-oxazol-4-yl]methyl}amine

• ChemBase ID: 584675
• Molecular Formular: C16H20N4O
• Molecular Mass: 284.3562
• Monoisotopic Mass: 284.16371128
• SMILES: n12c(cnc1cccc2)CN(Cc1nc(oc1)C(C)C)C
• Canonical SMILES: CN(Cc1cnc2n1cccc2)Cc1coc(n1)C(C)C
• InChI: InChI=1S/C16H20N4O/c1-12(2)16-18-13(11-21-16)9-19(3)10-14-8-17-15-6-4-5-7-20(14)15/h4-8,11-12H,9-10H2,1-3H3
• InChIKey: LMPORLWOSIIUPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {imidazo[1,2-a]pyridin-3-ylmethyl}(methyl){[2-(propan-2-yl)-1,3-oxazol-4-yl]methyl}amine
• IUPAC Traditional name: {imidazo[1,2-a]pyridin-3-ylmethyl}[(2-isopropyl-1,3-oxazol-4-yl)methyl]methylamine
• Synonyms: (imidazo[1,2-a]pyridin-3-ylmethyl)[(2-isopropyl-1,3-oxazol-4-yl)methyl]methylamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.76047593
• LogD (pH = 7.4): 1.6889615
• Log P: 1.7353705
• Molar Refractivity: 82.7985 cm^3
• Polarizability: 31.34852 Å^3
• Polar Surface Area: 46.57 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: 1.81
• LOG S: -1.81
• Polar Surface Area: 46.57 Å^2
• Rotatable Bonds: 5