N-benzyl-N-(cyclobutylmethyl)-5-{[(6-methylpyridin-3-yl)oxy]methyl}-1,2-oxazole-3-carboxamide

• ChemBase ID: 335856
• Molecular Formular: C23H25N3O3
• Molecular Mass: 391.4629
• Monoisotopic Mass: 391.18959168
• SMILES: c1(noc(c1)COc1cnc(cc1)C)C(=O)N(Cc1ccccc1)CC1CCC1
• Canonical SMILES: Cc1ccc(cn1)OCc1onc(c1)C(=O)N(Cc1ccccc1)CC1CCC1
• InChI: InChI=1S/C23H25N3O3/c1-17-10-11-20(13-24-17)28-16-21-12-22(25-29-21)23(27)26(15-19-8-5-9-19)14-18-6-3-2-4-7-18/h2-4,6-7,10-13,19H,5,8-9,14-16H2,1H3
• InChIKey: ALTXPCRAJCDNEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-(cyclobutylmethyl)-5-{[(6-methylpyridin-3-yl)oxy]methyl}-1,2-oxazole-3-carboxamide
• IUPAC Traditional name: N-benzyl-N-(cyclobutylmethyl)-5-{[(6-methylpyridin-3-yl)oxy]methyl}-1,2-oxazole-3-carboxamide
• Synonyms: N-benzyl-N-(cyclobutylmethyl)-5-{[(6-methyl-3-pyridinyl)oxy]methyl}-3-isoxazolecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.1630416
• LogD (pH = 7.4): 3.368317
• Log P: 3.3717537
• Molar Refractivity: 110.5433 cm^3
• Polarizability: 42.044724 Å^3
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 4.01
• LOG S: -5.09
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 8