N-[2-(pyridin-3-yloxy)propyl]-1,2,5-oxadiazole-3-carboxamide

• ChemBase ID: 555084
• Molecular Formular: C11H12N4O3
• Molecular Mass: 248.23798
• Monoisotopic Mass: 248.09094026
• SMILES: c1(nonc1)C(=O)NCC(Oc1cnccc1)C
• Canonical SMILES: CC(Oc1cccnc1)CNC(=O)c1nonc1
• InChI: InChI=1S/C11H12N4O3/c1-8(17-9-3-2-4-12-6-9)5-13-11(16)10-7-14-18-15-10/h2-4,6-8H,5H2,1H3,(H,13,16)
• InChIKey: BZZNANITPJROAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(pyridin-3-yloxy)propyl]-1,2,5-oxadiazole-3-carboxamide
• IUPAC Traditional name: N-[2-(pyridin-3-yloxy)propyl]-1,2,5-oxadiazole-3-carboxamide
• Synonyms: N-[2-(pyridin-3-yloxy)propyl]-1,2,5-oxadiazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.543536
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.20261207
• LogD (pH = 7.4): -0.13575889
• Log P: -0.13479002
• Molar Refractivity: 62.8458 cm^3
• Polarizability: 23.308933 Å^3
• Polar Surface Area: 90.14 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.31
• LOG S: -2.13
• Polar Surface Area: 90.14 Å^2
• Rotatable Bonds: 5