N-(2,1,3-benzothiadiazol-5-ylmethyl)-N,5-dimethyl-1,3-oxazole-4-carboxamide

• ChemBase ID: 651295
• Molecular Formular: C13H12N4O2S
• Molecular Mass: 288.32498
• Monoisotopic Mass: 288.06809664
• SMILES: c1(C(=O)N(Cc2cc3c(nsn3)cc2)C)ncoc1C
• Canonical SMILES: CN(C(=O)c1ncoc1C)Cc1ccc2c(c1)nsn2
• InChI: InChI=1S/C13H12N4O2S/c1-8-12(14-7-19-8)13(18)17(2)6-9-3-4-10-11(5-9)16-20-15-10/h3-5,7H,6H2,1-2H3
• InChIKey: PRBGFWOMCLQZDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,1,3-benzothiadiazol-5-ylmethyl)-N,5-dimethyl-1,3-oxazole-4-carboxamide
• IUPAC Traditional name: N-(2,1,3-benzothiadiazol-5-ylmethyl)-N,5-dimethyl-1,3-oxazole-4-carboxamide
• Synonyms: N-(2,1,3-benzothiadiazol-5-ylmethyl)-N,5-dimethyl-1,3-oxazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.6666433
• LogD (pH = 7.4): 1.6666434
• Log P: 1.6666434
• Molar Refractivity: 75.5119 cm^3
• Polarizability: 28.693073 Å^3
• Polar Surface Area: 72.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.33
• LOG S: -2.9
• Polar Surface Area: 72.12 Å^2
• Rotatable Bonds: 3