N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide

• ChemBase ID: 784676
• Molecular Formular: C10H12N4O3
• Molecular Mass: 236.22728
• Monoisotopic Mass: 236.09094026
• SMILES: c1(C(=O)N(Cc2onc(c2)CC)C)nonc1
• Canonical SMILES: CCc1noc(c1)CN(C(=O)c1nonc1)C
• InChI: InChI=1S/C10H12N4O3/c1-3-7-4-8(16-12-7)6-14(2)10(15)9-5-11-17-13-9/h4-5H,3,6H2,1-2H3
• InChIKey: IEARVJVMIXUOAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide
• IUPAC Traditional name: N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide
• Synonyms: N-[(3-ethylisoxazol-5-yl)methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.086856246
• LogD (pH = 7.4): 0.086859465
• Log P: 0.0868595
• Molar Refractivity: 60.0789 cm^3
• Polarizability: 21.33963 Å^3
• Polar Surface Area: 85.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.23
• LOG S: -2.43
• Polar Surface Area: 85.26 Å^2
• Rotatable Bonds: 4