5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-[3-(1H-pyrazol-1-yl)propyl]pyridin-2-amine

• ChemBase ID: 371368
• Molecular Formular: C15H18N6O2
• Molecular Mass: 314.34242
• Monoisotopic Mass: 314.14912385
• SMILES: n1c(onc1COC)c1cnc(NCCCn2nccc2)cc1
• Canonical SMILES: COCc1noc(n1)c1ccc(nc1)NCCCn1cccn1
• InChI: InChI=1S/C15H18N6O2/c1-22-11-14-19-15(23-20-14)12-4-5-13(17-10-12)16-6-2-8-21-9-3-7-18-21/h3-5,7,9-10H,2,6,8,11H2,1H3,(H,16,17)
• InChIKey: IFRKPFDTTHWBCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-[3-(1H-pyrazol-1-yl)propyl]pyridin-2-amine
• IUPAC Traditional name: 5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-[3-(pyrazol-1-yl)propyl]pyridin-2-amine
• Synonyms: 5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-[3-(1H-pyrazol-1-yl)propyl]-2-pyridinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.1628877
• LogD (pH = 7.4): 1.2853202
• Log P: 1.2871399
• Molar Refractivity: 109.0617 cm^3
• Polarizability: 32.209602 Å^3
• Polar Surface Area: 90.89 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 1.03
• LOG S: -3.78
• Polar Surface Area: 90.89 Å^2
• Rotatable Bonds: 7