N-{5-methoxy-2-[2-(3-methyl-1,2-oxazol-5-yl)acetamido]phenyl}-2-methylpropanamide

• ChemBase ID: 840390
• Molecular Formular: C17H21N3O4
• Molecular Mass: 331.36634
• Monoisotopic Mass: 331.15320617
• SMILES: n1oc(cc1C)CC(=O)Nc1c(NC(=O)C(C)C)cc(cc1)OC
• Canonical SMILES: COc1ccc(c(c1)NC(=O)C(C)C)NC(=O)Cc1onc(c1)C
• InChI: InChI=1S/C17H21N3O4/c1-10(2)17(22)19-15-8-12(23-4)5-6-14(15)18-16(21)9-13-7-11(3)20-24-13/h5-8,10H,9H2,1-4H3,(H,18,21)(H,19,22)
• InChIKey: VCARQWBFARMCAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{5-methoxy-2-[2-(3-methyl-1,2-oxazol-5-yl)acetamido]phenyl}-2-methylpropanamide
• IUPAC Traditional name: N-{5-methoxy-2-[2-(3-methyl-1,2-oxazol-5-yl)acetamido]phenyl}-2-methylpropanamide
• Synonyms: N-(5-methoxy-2-{[(3-methylisoxazol-5-yl)acetyl]amino}phenyl)-2-methylpropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.446424
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.784769
• LogD (pH = 7.4): 1.7847701
• Log P: 1.784774
• Molar Refractivity: 92.0815 cm^3
• Polarizability: 33.673973 Å^3
• Polar Surface Area: 93.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.72
• LOG S: -2.23
• Polar Surface Area: 93.46 Å^2
• Rotatable Bonds: 6