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

• ChemBase ID: 863363
• Molecular Formular: C20H21N3O2
• Molecular Mass: 335.39964
• Monoisotopic Mass: 335.16337693
• SMILES: c1(C(=O)N(Cc2cc(no2)c2ccccc2)C)c(N(C)C)cccc1
• Canonical SMILES: O=C(c1ccccc1N(C)C)N(Cc1onc(c1)c1ccccc1)C
• InChI: InChI=1S/C20H21N3O2/c1-22(2)19-12-8-7-11-17(19)20(24)23(3)14-16-13-18(21-25-16)15-9-5-4-6-10-15/h4-13H,14H2,1-3H3
• InChIKey: AEKPIKZYFRSGAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]benzamide
• IUPAC Traditional name: 2-(dimethylamino)-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]benzamide
• Synonyms: 2-(dimethylamino)-N-methyl-N-[(3-phenyl-5-isoxazolyl)methyl]benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.421044
• LogD (pH = 7.4): 3.4213731
• Log P: 3.4213774
• Molar Refractivity: 100.0547 cm^3
• Polarizability: 38.202633 Å^3
• Polar Surface Area: 49.58 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.59
• LOG S: -3.0
• Polar Surface Area: 49.58 Å^2
• Rotatable Bonds: 5