N-(butan-2-yl)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine

• ChemBase ID: 766548
• Molecular Formular: C14H20N4O2
• Molecular Mass: 276.3342
• Monoisotopic Mass: 276.1586259
• SMILES: n1c(onc1CCOC)c1cnc(NC(CC)C)cc1
• Canonical SMILES: COCCc1noc(n1)c1ccc(nc1)NC(CC)C
• InChI: InChI=1S/C14H20N4O2/c1-4-10(2)16-12-6-5-11(9-15-12)14-17-13(18-20-14)7-8-19-3/h5-6,9-10H,4,7-8H2,1-3H3,(H,15,16)
• InChIKey: AYONIVZPFAHIHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(butan-2-yl)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
• IUPAC Traditional name: 5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-(sec-butyl)pyridin-2-amine
• Synonyms: N-(sec-butyl)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.643383
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.4036162
• LogD (pH = 7.4): 2.5191948
• Log P: 2.520898
• Molar Refractivity: 89.5947 cm^3
• Polarizability: 29.469065 Å^3
• Polar Surface Area: 73.07 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.08
• LOG S: -3.85
• Polar Surface Area: 73.07 Å^2
• Rotatable Bonds: 7