(2R)-2-amino-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2-(thiophen-2-yl)acetamide

• ChemBase ID: 326213
• Molecular Formular: C17H17N3O2S
• Molecular Mass: 327.40078
• Monoisotopic Mass: 327.1041478
• SMILES: C(=O)([C@H](c1sccc1)N)N(Cc1cc(no1)c1ccccc1)C
• Canonical SMILES: O=C([C@H](c1cccs1)N)N(Cc1onc(c1)c1ccccc1)C
• InChI: InChI=1S/C17H17N3O2S/c1-20(17(21)16(18)15-8-5-9-23-15)11-13-10-14(19-22-13)12-6-3-2-4-7-12/h2-10,16H,11,18H2,1H3/t16-/m0/s1
• InChIKey: SSPGHFLIYKCBFC-INIZCTEOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-amino-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2-(thiophen-2-yl)acetamide
• IUPAC Traditional name: (2R)-2-amino-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2-(thiophen-2-yl)acetamide
• Synonyms: (2R)-2-amino-N-methyl-N-[(3-phenyl-5-isoxazolyl)methyl]-2-(2-thienyl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.6483578
• LogD (pH = 7.4): 2.1519794
• Log P: 2.38434
• Molar Refractivity: 89.5631 cm^3
• Polarizability: 35.600883 Å^3
• Polar Surface Area: 72.36 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: 1.39
• LOG S: -2.77
• Polar Surface Area: 72.36 Å^2
• Rotatable Bonds: 5