3-[2-(3-methyl-1,2-oxazol-5-yl)acetamido]-4-(2-methylpiperidin-1-yl)benzamide

• ChemBase ID: 566716
• Molecular Formular: C19H24N4O3
• Molecular Mass: 356.41886
• Monoisotopic Mass: 356.18484065
• SMILES: N1(c2c(NC(=O)Cc3onc(c3)C)cc(C(=O)N)cc2)C(C)CCCC1
• Canonical SMILES: O=C(Nc1cc(ccc1N1CCCCC1C)C(=O)N)Cc1onc(c1)C
• InChI: InChI=1S/C19H24N4O3/c1-12-9-15(26-22-12)11-18(24)21-16-10-14(19(20)25)6-7-17(16)23-8-4-3-5-13(23)2/h6-7,9-10,13H,3-5,8,11H2,1-2H3,(H2,20,25)(H,21,24)
• InChIKey: IEZMTENGXBFVPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[2-(3-methyl-1,2-oxazol-5-yl)acetamido]-4-(2-methylpiperidin-1-yl)benzamide
• IUPAC Traditional name: 3-[2-(3-methyl-1,2-oxazol-5-yl)acetamido]-4-(2-methylpiperidin-1-yl)benzamide
• Synonyms: 3-{[(3-methylisoxazol-5-yl)acetyl]amino}-4-(2-methylpiperidin-1-yl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.186384
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.6858081
• LogD (pH = 7.4): 1.6868243
• Log P: 1.686838
• Molar Refractivity: 101.6217 cm^3
• Polarizability: 36.87043 Å^3
• Polar Surface Area: 101.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.69
• LOG S: -3.24
• Polar Surface Area: 101.46 Å^2
• Rotatable Bonds: 5