5-cyclopropyl-N-{2-[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl}-1,3,4-oxadiazol-2-amine

• ChemBase ID: 558982
• Molecular Formular: C14H14N6O2
• Molecular Mass: 298.29996
• Monoisotopic Mass: 298.11782372
• SMILES: c1(nc(on1)CCNc1oc(nn1)C1CC1)c1ncccc1
• Canonical SMILES: c1ccc(nc1)c1noc(n1)CCNc1nnc(o1)C1CC1
• InChI: InChI=1S/C14H14N6O2/c1-2-7-15-10(3-1)12-17-11(22-20-12)6-8-16-14-19-18-13(21-14)9-4-5-9/h1-3,7,9H,4-6,8H2,(H,16,19)
• InChIKey: ZAQOKDMEVYKFJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-cyclopropyl-N-{2-[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl}-1,3,4-oxadiazol-2-amine
• IUPAC Traditional name: 5-cyclopropyl-N-{2-[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl}-1,3,4-oxadiazol-2-amine
• Synonyms: 5-cyclopropyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,3,4-oxadiazol-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.721393
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.471401
• LogD (pH = 7.4): 1.4714007
• Log P: 1.471421
• Molar Refractivity: 90.6279 cm^3
• Polarizability: 29.070871 Å^3
• Polar Surface Area: 102.76 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 0.45
• LOG S: -2.25
• Polar Surface Area: 102.76 Å^2
• Rotatable Bonds: 6