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

• ChemBase ID: 497381
• Molecular Formular: C19H22N4O2
• Molecular Mass: 338.40358
• Monoisotopic Mass: 338.17427596
• SMILES: n1(c(nc2c1cccc2)C)Cc1cc(no1)C(=O)N(CC(=C)C)CC
• Canonical SMILES: CCN(C(=O)c1noc(c1)Cn1c(C)nc2c1cccc2)CC(=C)C
• InChI: InChI=1S/C19H22N4O2/c1-5-22(11-13(2)3)19(24)17-10-15(25-21-17)12-23-14(4)20-16-8-6-7-9-18(16)23/h6-10H,2,5,11-12H2,1,3-4H3
• InChIKey: RSDDDGBJTDVSEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-5-[(2-methyl-1H-1,3-benzodiazol-1-yl)methyl]-N-(2-methylprop-2-en-1-yl)-1,2-oxazole-3-carboxamide
• IUPAC Traditional name: N-ethyl-5-[(2-methyl-1,3-benzodiazol-1-yl)methyl]-N-(2-methylprop-2-en-1-yl)-1,2-oxazole-3-carboxamide
• Synonyms: N-ethyl-5-[(2-methyl-1H-benzimidazol-1-yl)methyl]-N-(2-methyl-2-propen-1-yl)-3-isoxazolecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9812349
• LogD (pH = 7.4): 2.609273
• Log P: 2.6305263
• Molar Refractivity: 96.9311 cm^3
• Polarizability: 37.39078 Å^3
• Polar Surface Area: 64.16 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.28
• LOG S: -3.77
• Polar Surface Area: 64.16 Å^2
• Rotatable Bonds: 5