3-{5-[(oxolan-2-ylmethoxy)methyl]-1,2,4-oxadiazol-3-yl}pyridazine

• ChemBase ID: 511971
• Molecular Formular: C12H14N4O3
• Molecular Mass: 262.26456
• Monoisotopic Mass: 262.10659033
• SMILES: c1(nc(on1)COCC1OCCC1)c1nnccc1
• Canonical SMILES: C1COC(C1)COCc1onc(n1)c1cccnn1
• InChI: InChI=1S/C12H14N4O3/c1-4-10(15-13-5-1)12-14-11(19-16-12)8-17-7-9-3-2-6-18-9/h1,4-5,9H,2-3,6-8H2
• InChIKey: BFSCCXWLECPORF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{5-[(oxolan-2-ylmethoxy)methyl]-1,2,4-oxadiazol-3-yl}pyridazine
• IUPAC Traditional name: 3-{5-[(oxolan-2-ylmethoxy)methyl]-1,2,4-oxadiazol-3-yl}pyridazine
• Synonyms: 3-{5-[(tetrahydro-2-furanylmethoxy)methyl]-1,2,4-oxadiazol-3-yl}pyridazine

CALCULATED PROPERTIES

JChem

• H Donor: 0
• LogD (pH = 5.5): 0.4618521
• LogD (pH = 7.4): 0.4618538
• Log P: 0.46185383
• Molar Refractivity: 78.5684 cm^3
• Polarizability: 25.724047 Å^3
• Polar Surface Area: 83.16 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 6

供应商提供(Chembridge)

• H Donor: 0
• Log P: 0.25
• LOG S: -2.64
• Polar Surface Area: 83.16 Å^2
• Rotatable Bonds: 5
• H Acceptors: 7