3-(2-methylpropyl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1,2-oxazole-5-carboxamide

• ChemBase ID: 515172
• Molecular Formular: C15H20N4O2
• Molecular Mass: 288.3449
• Monoisotopic Mass: 288.1586259
• SMILES: c1(C(=O)NC2Cc3c([nH]nc3)CC2)cc(no1)CC(C)C
• Canonical SMILES: CC(Cc1noc(c1)C(=O)NC1CCc2c(C1)cn[nH]2)C
• InChI: InChI=1S/C15H20N4O2/c1-9(2)5-12-7-14(21-19-12)15(20)17-11-3-4-13-10(6-11)8-16-18-13/h7-9,11H,3-6H2,1-2H3,(H,16,18)(H,17,20)
• InChIKey: XFTLSKMUASTWSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methylpropyl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1,2-oxazole-5-carboxamide
• IUPAC Traditional name: 3-(2-methylpropyl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1,2-oxazole-5-carboxamide
• Synonyms: 3-isobutyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-5-isoxazolecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.578808
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.5211229
• LogD (pH = 7.4): 1.5212117
• Log P: 1.5212387
• Molar Refractivity: 80.3879 cm^3
• Polarizability: 29.516718 Å^3
• Polar Surface Area: 83.81 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.31
• LOG S: -2.42
• Polar Surface Area: 83.81 Å^2
• Rotatable Bonds: 4