2-(dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxyphenyl)methyl]acetamide

• ChemBase ID: 513750
• Molecular Formular: C15H18N2O3
• Molecular Mass: 274.31502
• Monoisotopic Mass: 274.13174245
• SMILES: c1(c(onc1C)C)CC(=O)NCc1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)CNC(=O)Cc1c(C)noc1C
• InChI: InChI=1S/C15H18N2O3/c1-10-14(11(2)20-17-10)8-15(18)16-9-12-5-4-6-13(7-12)19-3/h4-7H,8-9H2,1-3H3,(H,16,18)
• InChIKey: DLZXQPCRYSFMNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxyphenyl)methyl]acetamide
• IUPAC Traditional name: 2-(dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxyphenyl)methyl]acetamide
• Synonyms: 2-(3,5-dimethyl-4-isoxazolyl)-N-(3-methoxybenzyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.780443
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2899588
• LogD (pH = 7.4): 1.2900057
• Log P: 1.2900063
• Molar Refractivity: 76.3435 cm^3
• Polarizability: 28.691242 Å^3
• Polar Surface Area: 64.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.05
• LOG S: -3.09
• Polar Surface Area: 64.36 Å^2
• Rotatable Bonds: 4