({3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl}methyl)({imidazo[1,2-a]pyrimidin-2-ylmethyl})amine

• ChemBase ID: 721833
• Molecular Formular: C17H15FN6O
• Molecular Mass: 338.3390032
• Monoisotopic Mass: 338.12913735
• SMILES: c12nc(cn1cccn2)CNCc1nc(no1)Cc1c(F)cccc1
• Canonical SMILES: Fc1ccccc1Cc1noc(n1)CNCc1cn2c(n1)nccc2
• InChI: InChI=1S/C17H15FN6O/c18-14-5-2-1-4-12(14)8-15-22-16(25-23-15)10-19-9-13-11-24-7-3-6-20-17(24)21-13/h1-7,11,19H,8-10H2
• InChIKey: JWPWZROLSOYAJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ({3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl}methyl)({imidazo[1,2-a]pyrimidin-2-ylmethyl})amine
• IUPAC Traditional name: ({3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl}methyl)({imidazo[1,2-a]pyrimidin-2-ylmethyl})amine
• Synonyms: 1-[3-(2-fluorobenzyl)-1,2,4-oxadiazol-5-yl]-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.5990529
• LogD (pH = 7.4): 1.904915
• Log P: 1.9106158
• Molar Refractivity: 91.6338 cm^3
• Polarizability: 33.381207 Å^3
• Polar Surface Area: 81.14 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.4
• LOG S: -1.85
• Polar Surface Area: 81.14 Å^2
• Rotatable Bonds: 6