2-ethyl-4-methyl-N-{2-[(pyridin-3-yl)amino]ethyl}-1,3-oxazole-5-carboxamide

• ChemBase ID: 695682
• Molecular Formular: C14H18N4O2
• Molecular Mass: 274.31832
• Monoisotopic Mass: 274.14297584
• SMILES: c1(c(nc(o1)CC)C)C(=O)NCCNc1cnccc1
• Canonical SMILES: CCc1nc(c(o1)C(=O)NCCNc1cccnc1)C
• InChI: InChI=1S/C14H18N4O2/c1-3-12-18-10(2)13(20-12)14(19)17-8-7-16-11-5-4-6-15-9-11/h4-6,9,16H,3,7-8H2,1-2H3,(H,17,19)
• InChIKey: BGHRQIZZQGABKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-4-methyl-N-{2-[(pyridin-3-yl)amino]ethyl}-1,3-oxazole-5-carboxamide
• IUPAC Traditional name: 2-ethyl-4-methyl-N-[2-(pyridin-3-ylamino)ethyl]-1,3-oxazole-5-carboxamide
• Synonyms: 2-ethyl-4-methyl-N-[2-(pyridin-3-ylamino)ethyl]-1,3-oxazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.928131
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.35520694
• LogD (pH = 7.4): -0.0841296
• Log P: -0.078747995
• Molar Refractivity: 76.405 cm^3
• Polarizability: 28.074848 Å^3
• Polar Surface Area: 80.05 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -1.15
• LOG S: -1.53
• Polar Surface Area: 80.05 Å^2
• Rotatable Bonds: 6