N-cyclohexyl-3-(2-methylpropyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide

• ChemBase ID: 619766
• Molecular Formular: C20H27N3O2
• Molecular Mass: 341.44728
• Monoisotopic Mass: 341.21032712
• SMILES: c1(C(=O)N(Cc2ncccc2)C2CCCCC2)cc(no1)CC(C)C
• Canonical SMILES: CC(Cc1noc(c1)C(=O)N(C1CCCCC1)Cc1ccccn1)C
• InChI: InChI=1S/C20H27N3O2/c1-15(2)12-17-13-19(25-22-17)20(24)23(18-9-4-3-5-10-18)14-16-8-6-7-11-21-16/h6-8,11,13,15,18H,3-5,9-10,12,14H2,1-2H3
• InChIKey: KNTMSVOOZJOYTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-3-(2-methylpropyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide
• IUPAC Traditional name: N-cyclohexyl-3-(2-methylpropyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide
• Synonyms: N-cyclohexyl-3-isobutyl-N-(2-pyridinylmethyl)-5-isoxazolecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.4891613
• LogD (pH = 7.4): 3.5065944
• Log P: 3.5068216
• Molar Refractivity: 97.565 cm^3
• Polarizability: 37.295662 Å^3
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.31
• LOG S: -2.36
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 6