N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-2-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)acetamide

• ChemBase ID: 512785
• Molecular Formular: C15H15N3O3S
• Molecular Mass: 317.3629
• Monoisotopic Mass: 317.08341236
• SMILES: n1(c(=O)c2c(s1)cccc2)CC(=O)N(C(c1nocc1)C)C
• Canonical SMILES: CN(C(c1nocc1)C)C(=O)Cn1sc2c(c1=O)cccc2
• InChI: InChI=1S/C15H15N3O3S/c1-10(12-7-8-21-16-12)17(2)14(19)9-18-15(20)11-5-3-4-6-13(11)22-18/h3-8,10H,9H2,1-2H3
• InChIKey: FFGDLZQXZHRVRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-2-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)acetamide
• IUPAC Traditional name: N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide
• Synonyms: N-(1-isoxazol-3-ylethyl)-N-methyl-2-(3-oxo-1,2-benzisothiazol-2(3H)-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.968484
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4392557
• LogD (pH = 7.4): 1.4392558
• Log P: 1.4392558
• Molar Refractivity: 82.1317 cm^3
• Polarizability: 31.517376 Å^3
• Polar Surface Area: 66.65 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.8
• LOG S: -2.2
• Polar Surface Area: 68.34 Å^2
• Rotatable Bonds: 4