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

• ChemBase ID: 462086
• Molecular Formular: C17H21N3O2
• Molecular Mass: 299.36754
• Monoisotopic Mass: 299.16337693
• SMILES: c1(C(=O)N(Cc2cnccc2)C2CCCCC2)onc(c1)C
• Canonical SMILES: Cc1noc(c1)C(=O)N(C1CCCCC1)Cc1cccnc1
• InChI: InChI=1S/C17H21N3O2/c1-13-10-16(22-19-13)17(21)20(15-7-3-2-4-8-15)12-14-6-5-9-18-11-14/h5-6,9-11,15H,2-4,7-8,12H2,1H3
• InChIKey: ODVVXMXIXOAQHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-3-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-5-carboxamide
• IUPAC Traditional name: N-cyclohexyl-3-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-5-carboxamide
• Synonyms: N-cyclohexyl-3-methyl-N-(pyridin-3-ylmethyl)isoxazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9209735
• LogD (pH = 7.4): 1.9922168
• Log P: 1.9932262
• Molar Refractivity: 84.3107 cm^3
• Polarizability: 31.779465 Å^3
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.9
• LOG S: -0.85
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 4