5-cyclobutyl-N-(1-{imidazo[1,2-a]pyrimidin-2-yl}propyl)-1,3,4-oxadiazol-2-amine

• ChemBase ID: 663842
• Molecular Formular: C15H18N6O
• Molecular Mass: 298.34302
• Monoisotopic Mass: 298.15420923
• SMILES: c12nc(cn1cccn2)C(Nc1oc(nn1)C1CCC1)CC
• Canonical SMILES: CCC(c1cn2c(n1)nccc2)Nc1nnc(o1)C1CCC1
• InChI: InChI=1S/C15H18N6O/c1-2-11(12-9-21-8-4-7-16-14(21)17-12)18-15-20-19-13(22-15)10-5-3-6-10/h4,7-11H,2-3,5-6H2,1H3,(H,18,20)
• InChIKey: NJXUENZCIHZZCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-cyclobutyl-N-(1-{imidazo[1,2-a]pyrimidin-2-yl}propyl)-1,3,4-oxadiazol-2-amine
• IUPAC Traditional name: 5-cyclobutyl-N-(1-{imidazo[1,2-a]pyrimidin-2-yl}propyl)-1,3,4-oxadiazol-2-amine
• Synonyms: 5-cyclobutyl-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-1,3,4-oxadiazol-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.04016
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.1892838
• LogD (pH = 7.4): 1.1810601
• Log P: 1.190424
• Molar Refractivity: 84.9315 cm^3
• Polarizability: 30.366528 Å^3
• Polar Surface Area: 81.14 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.37
• LOG S: -3.15
• Polar Surface Area: 81.14 Å^2
• Rotatable Bonds: 5