1-[2-(dimethylamino)ethyl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide

• ChemBase ID: 826673
• Molecular Formular: C15H24N4O3
• Molecular Mass: 308.37606
• Monoisotopic Mass: 308.18484065
• SMILES: C1(C(=O)N(Cc2noc(c2)C)C)CN(C(=O)C1)CCN(C)C
• Canonical SMILES: CN(CCN1CC(CC1=O)C(=O)N(Cc1noc(c1)C)C)C
• InChI: InChI=1S/C15H24N4O3/c1-11-7-13(16-22-11)10-18(4)15(21)12-8-14(20)19(9-12)6-5-17(2)3/h7,12H,5-6,8-10H2,1-4H3
• InChIKey: UVMZJGDMJVFWOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(dimethylamino)ethyl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
• IUPAC Traditional name: 1-[2-(dimethylamino)ethyl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
• Synonyms: 1-[2-(dimethylamino)ethyl]-N-methyl-N-[(5-methyl-3-isoxazolyl)methyl]-5-oxo-3-pyrrolidinecarboxamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• LOG S: -1.67
• Polar Surface Area: 69.89 Å^2
• Rotatable Bonds: 6
• H Acceptors: 5
• H Donor: 0
• Log P: -1.27

JChem

• Molar Refractivity: 83.5573 cm^3
• Polarizability: 31.597666 Å^3
• Polar Surface Area: 69.89 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.8028524
• LogD (pH = 7.4): -2.047537
• Log P: -0.9481755