N-(diethyl-1,2-oxazol-5-yl)-2-[6-oxo-4-(pyrrolidin-1-yl)-1,6-dihydropyridazin-1-yl]acetamide

• ChemBase ID: 760426
• Molecular Formular: C17H23N5O3
• Molecular Mass: 345.39622
• Monoisotopic Mass: 345.18008962
• SMILES: c1(c(c(no1)CC)CC)NC(=O)Cn1c(=O)cc(cn1)N1CCCC1
• Canonical SMILES: CCc1c(onc1CC)NC(=O)Cn1ncc(cc1=O)N1CCCC1
• InChI: InChI=1S/C17H23N5O3/c1-3-13-14(4-2)20-25-17(13)19-15(23)11-22-16(24)9-12(10-18-22)21-7-5-6-8-21/h9-10H,3-8,11H2,1-2H3,(H,19,23)
• InChIKey: QEMAUHBCYZILHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(diethyl-1,2-oxazol-5-yl)-2-[6-oxo-4-(pyrrolidin-1-yl)-1,6-dihydropyridazin-1-yl]acetamide
• IUPAC Traditional name: N-(diethyl-1,2-oxazol-5-yl)-2-[6-oxo-4-(pyrrolidin-1-yl)pyridazin-1-yl]acetamide
• Synonyms: N-(3,4-diethyl-5-isoxazolyl)-2-[6-oxo-4-(1-pyrrolidinyl)-1(6H)-pyridazinyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.065062
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.1640235
• LogD (pH = 7.4): 1.155316
• Log P: 1.1641415
• Molar Refractivity: 96.0106 cm^3
• Polarizability: 34.5875 Å^3
• Polar Surface Area: 91.04 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.01
• LOG S: -3.03
• Polar Surface Area: 93.26 Å^2
• Rotatable Bonds: 6