5-(morpholin-4-yl)-2-{[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}-2,3-dihydropyridazin-3-one

• ChemBase ID: 718476
• Molecular Formular: C15H19N5O4
• Molecular Mass: 333.34246
• Monoisotopic Mass: 333.14370411
• SMILES: n1c(noc1C1OCCC1)Cn1c(=O)cc(cn1)N1CCOCC1
• Canonical SMILES: O=c1cc(cnn1Cc1noc(n1)C1CCCO1)N1CCOCC1
• InChI: InChI=1S/C15H19N5O4/c21-14-8-11(19-3-6-22-7-4-19)9-16-20(14)10-13-17-15(24-18-13)12-2-1-5-23-12/h8-9,12H,1-7,10H2
• InChIKey: XDMGQNFDKNXWMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(morpholin-4-yl)-2-{[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}-2,3-dihydropyridazin-3-one
• IUPAC Traditional name: 5-(morpholin-4-yl)-2-{[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}pyridazin-3-one
• Synonyms: 5-morpholin-4-yl-2-{[5-(tetrahydrofuran-2-yl)-1,2,4-oxadiazol-3-yl]methyl}pyridazin-3(2H)-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 0.037128933
• LogD (pH = 7.4): 0.03712934
• Log P: 0.037129343
• Molar Refractivity: 86.5461 cm^3
• Polarizability: 31.568888 Å^3
• Polar Surface Area: 93.29 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: -0.84
• LOG S: -2.22
• Polar Surface Area: 95.51 Å^2
• Rotatable Bonds: 4