N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-(dimethyl-1,2-oxazol-4-yl)acetamide

• ChemBase ID: 755786
• Molecular Formular: C18H27N3O3
• Molecular Mass: 333.42528
• Monoisotopic Mass: 333.20524174
• SMILES: c1(c(onc1C)C)CC(=O)NC1CC(=O)N(C1)CC1CCCCC1
• Canonical SMILES: O=C(Cc1c(C)noc1C)NC1CN(C(=O)C1)CC1CCCCC1
• InChI: InChI=1S/C18H27N3O3/c1-12-16(13(2)24-20-12)9-17(22)19-15-8-18(23)21(11-15)10-14-6-4-3-5-7-14/h14-15H,3-11H2,1-2H3,(H,19,22)
• InChIKey: QUJNNRNVAAHEKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-(dimethyl-1,2-oxazol-4-yl)acetamide
• IUPAC Traditional name: N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-(dimethyl-1,2-oxazol-4-yl)acetamide
• Synonyms: N-[1-(cyclohexylmethyl)-5-oxo-3-pyrrolidinyl]-2-(3,5-dimethyl-4-isoxazolyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.109888
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.081088
• LogD (pH = 7.4): 1.0811348
• Log P: 1.0811354
• Molar Refractivity: 91.1135 cm^3
• Polarizability: 34.772392 Å^3
• Polar Surface Area: 75.44 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.33
• LOG S: -3.15
• Polar Surface Area: 75.44 Å^2
• Rotatable Bonds: 5