N-{1H,4H,5H,6H,7H,8H-cyclohepta[c]pyrazol-3-ylmethyl}-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

• ChemBase ID: 588581
• Molecular Formular: C15H22N4O3
• Molecular Mass: 306.36018
• Monoisotopic Mass: 306.16919058
• SMILES: c1(n[nH]c2c1CCCCC2)CN(C(=O)CN1C(=O)OCC1)C
• Canonical SMILES: CN(C(=O)CN1CCOC1=O)Cc1n[nH]c2c1CCCCC2
• InChI: InChI=1S/C15H22N4O3/c1-18(14(20)10-19-7-8-22-15(19)21)9-13-11-5-3-2-4-6-12(11)16-17-13/h2-10H2,1H3,(H,16,17)
• InChIKey: MCOGXTWCAFZGPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1H,4H,5H,6H,7H,8H-cyclohepta[c]pyrazol-3-ylmethyl}-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
• IUPAC Traditional name: N-{1H,4H,5H,6H,7H,8H-cyclohepta[c]pyrazol-3-ylmethyl}-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
• Synonyms: N-(1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-ylmethyl)-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.420804
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.75415635
• LogD (pH = 7.4): 0.7542669
• Log P: 0.75426835
• Molar Refractivity: 81.5066 cm^3
• Polarizability: 30.798925 Å^3
• Polar Surface Area: 78.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.05
• LOG S: -2.7
• Polar Surface Area: 78.53 Å^2
• Rotatable Bonds: 4