4-(carbamoylmethoxy)-N-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide

• ChemBase ID: 420346
• Molecular Formular: C20H19N3O4
• Molecular Mass: 365.38256
• Monoisotopic Mass: 365.1375561
• SMILES: n1c(cc(o1)c1ccccc1)CN(C(=O)c1ccc(OCC(=O)N)cc1)C
• Canonical SMILES: NC(=O)COc1ccc(cc1)C(=O)N(Cc1noc(c1)c1ccccc1)C
• InChI: InChI=1S/C20H19N3O4/c1-23(12-16-11-18(27-22-16)14-5-3-2-4-6-14)20(25)15-7-9-17(10-8-15)26-13-19(21)24/h2-11H,12-13H2,1H3,(H2,21,24)
• InChIKey: YWMMOIPBUGCBFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(carbamoylmethoxy)-N-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide
• IUPAC Traditional name: 4-(carbamoylmethoxy)-N-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide
• Synonyms: 4-(2-amino-2-oxoethoxy)-N-methyl-N-[(5-phenylisoxazol-3-yl)methyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.881642
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.522324
• LogD (pH = 7.4): 1.5223246
• Log P: 1.5223246
• Molar Refractivity: 99.8459 cm^3
• Polarizability: 38.939278 Å^3
• Polar Surface Area: 98.66 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.59
• LOG S: -3.22
• Polar Surface Area: 98.66 Å^2
• Rotatable Bonds: 7