3-methyl-6-[5-(1-phenoxyethyl)-1,2,4-oxadiazol-3-yl]pyridazine

• ChemBase ID: 409318
• Molecular Formular: C15H14N4O2
• Molecular Mass: 282.29726
• Monoisotopic Mass: 282.11167571
• SMILES: n1c(noc1C(Oc1ccccc1)C)c1nnc(cc1)C
• Canonical SMILES: Cc1ccc(nn1)c1noc(n1)C(Oc1ccccc1)C
• InChI: InChI=1S/C15H14N4O2/c1-10-8-9-13(18-17-10)14-16-15(21-19-14)11(2)20-12-6-4-3-5-7-12/h3-9,11H,1-2H3
• InChIKey: WWZVYCJMQAPVDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-6-[5-(1-phenoxyethyl)-1,2,4-oxadiazol-3-yl]pyridazine
• IUPAC Traditional name: 3-methyl-6-[5-(1-phenoxyethyl)-1,2,4-oxadiazol-3-yl]pyridazine
• Synonyms: 3-methyl-6-[5-(1-phenoxyethyl)-1,2,4-oxadiazol-3-yl]pyridazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.5880516
• LogD (pH = 7.4): 2.5880685
• Log P: 2.5880687
• Molar Refractivity: 88.9078 cm^3
• Polarizability: 29.67117 Å^3
• Polar Surface Area: 73.93 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.66
• LOG S: -3.53
• Polar Surface Area: 73.93 Å^2
• Rotatable Bonds: 4