5-methyl-N,N-bis(1,3-oxazol-4-ylmethyl)-2-phenyl-1H-imidazole-4-carboxamide

• ChemBase ID: 827473
• Molecular Formular: C19H17N5O3
• Molecular Mass: 363.36998
• Monoisotopic Mass: 363.13313943
• SMILES: c1(nc([nH]c1C)c1ccccc1)C(=O)N(Cc1ncoc1)Cc1ncoc1
• Canonical SMILES: O=C(c1nc([nH]c1C)c1ccccc1)N(Cc1cocn1)Cc1cocn1
• InChI: InChI=1S/C19H17N5O3/c1-13-17(23-18(22-13)14-5-3-2-4-6-14)19(25)24(7-15-9-26-11-20-15)8-16-10-27-12-21-16/h2-6,9-12H,7-8H2,1H3,(H,22,23)
• InChIKey: RKQDWQLRPMRELY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-N,N-bis(1,3-oxazol-4-ylmethyl)-2-phenyl-1H-imidazole-4-carboxamide
• IUPAC Traditional name: 5-methyl-N,N-bis(1,3-oxazol-4-ylmethyl)-2-phenyl-1H-imidazole-4-carboxamide
• Synonyms: 5-methyl-N,N-bis(1,3-oxazol-4-ylmethyl)-2-phenyl-1H-imidazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.547286
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.2524551
• LogD (pH = 7.4): 1.2582734
• Log P: 1.2586229
• Molar Refractivity: 107.3635 cm^3
• Polarizability: 36.869762 Å^3
• Polar Surface Area: 101.05 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.81
• LOG S: -2.54
• Polar Surface Area: 101.05 Å^2
• Rotatable Bonds: 6