N-[(dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(4-methyl-1-oxo-1,2-dihydrophthalazin-2-yl)acetamide

• ChemBase ID: 764434
• Molecular Formular: C18H20N4O3
• Molecular Mass: 340.3764
• Monoisotopic Mass: 340.15354052
• SMILES: n1(nc(c2c(c1=O)cccc2)C)CC(=O)N(Cc1c(onc1C)C)C
• Canonical SMILES: CN(C(=O)Cn1nc(C)c2c(c1=O)cccc2)Cc1c(C)noc1C
• InChI: InChI=1S/C18H20N4O3/c1-11-14-7-5-6-8-15(14)18(24)22(19-11)10-17(23)21(4)9-16-12(2)20-25-13(16)3/h5-8H,9-10H2,1-4H3
• InChIKey: ZJZIUMOOMCBLQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(4-methyl-1-oxo-1,2-dihydrophthalazin-2-yl)acetamide
• IUPAC Traditional name: N-[(dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
• Synonyms: N-[(3,5-dimethyl-4-isoxazolyl)methyl]-N-methyl-2-(4-methyl-1-oxo-2(1H)-phthalazinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.600408
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.59701043
• LogD (pH = 7.4): 0.59705245
• Log P: 0.597053
• Molar Refractivity: 94.389 cm^3
• Polarizability: 34.548565 Å^3
• Polar Surface Area: 79.01 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.31
• LOG S: -3.26
• Polar Surface Area: 81.23 Å^2
• Rotatable Bonds: 4