N-methyl-N-(1,2-oxazol-3-ylmethyl)-4-(piperidin-1-yl)benzamide

• ChemBase ID: 440481
• Molecular Formular: C17H21N3O2
• Molecular Mass: 299.36754
• Monoisotopic Mass: 299.16337693
• SMILES: C(=O)(N(Cc1nocc1)C)c1ccc(N2CCCCC2)cc1
• Canonical SMILES: CN(C(=O)c1ccc(cc1)N1CCCCC1)Cc1ccon1
• InChI: InChI=1S/C17H21N3O2/c1-19(13-15-9-12-22-18-15)17(21)14-5-7-16(8-6-14)20-10-3-2-4-11-20/h5-9,12H,2-4,10-11,13H2,1H3
• InChIKey: FNDDMPMVSWVWON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-(1,2-oxazol-3-ylmethyl)-4-(piperidin-1-yl)benzamide
• IUPAC Traditional name: N-methyl-N-(1,2-oxazol-3-ylmethyl)-4-(piperidin-1-yl)benzamide
• Synonyms: N-(isoxazol-3-ylmethyl)-N-methyl-4-piperidin-1-ylbenzamide

CALCULATED PROPERTIES

JChem

• LogD (pH = 5.5): 2.3853908
• LogD (pH = 7.4): 2.3999498
• Log P: 2.4001386
• Molar Refractivity: 87.0328 cm^3
• Polarizability: 32.039814 Å^3
• Polar Surface Area: 49.58 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0

供应商提供(Chembridge)

• Log P: 1.14
• LOG S: -2.36
• Polar Surface Area: 49.58 Å^2
• Rotatable Bonds: 4
• H Acceptors: 3
• H Donor: 0