N-[(1-ethyl-1H-imidazol-5-yl)methyl]-5-[(2-methyl-1H-1,3-benzodiazol-1-yl)methyl]-1,2-oxazole-3-carboxamide

• ChemBase ID: 843360
• Molecular Formular: C19H20N6O2
• Molecular Mass: 364.4011
• Monoisotopic Mass: 364.16477391
• SMILES: n1(c(nc2c1cccc2)C)Cc1cc(no1)C(=O)NCc1n(cnc1)CC
• Canonical SMILES: CCn1cncc1CNC(=O)c1noc(c1)Cn1c(C)nc2c1cccc2
• InChI: InChI=1S/C19H20N6O2/c1-3-24-12-20-9-14(24)10-21-19(26)17-8-15(27-23-17)11-25-13(2)22-16-6-4-5-7-18(16)25/h4-9,12H,3,10-11H2,1-2H3,(H,21,26)
• InChIKey: SDPOJBVSOQERTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-ethyl-1H-imidazol-5-yl)methyl]-5-[(2-methyl-1H-1,3-benzodiazol-1-yl)methyl]-1,2-oxazole-3-carboxamide
• IUPAC Traditional name: N-[(3-ethylimidazol-4-yl)methyl]-5-[(2-methyl-1,3-benzodiazol-1-yl)methyl]-1,2-oxazole-3-carboxamide
• Synonyms: N-[(1-ethyl-1H-imidazol-5-yl)methyl]-5-[(2-methyl-1H-benzimidazol-1-yl)methyl]isoxazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.303397
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.056525066
• LogD (pH = 7.4): 1.1278526
• Log P: 1.1819193
• Molar Refractivity: 100.9313 cm^3
• Polarizability: 38.442375 Å^3
• Polar Surface Area: 90.77 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.46
• LOG S: -2.25
• Polar Surface Area: 90.77 Å^2
• Rotatable Bonds: 6