2-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide

• ChemBase ID: 256160
• Molecular Formular: C5H6ClN3O2
• Molecular Mass: 175.57304
• Monoisotopic Mass: 175.01485413
• SMILES: c1(oc(nn1)C)NC(=O)CCl
• Canonical SMILES: Cc1nnc(o1)NC(=O)CCl
• InChI: InChI=1S/C5H6ClN3O2/c1-3-8-9-5(11-3)7-4(10)2-6/h2H2,1H3,(H,7,9,10)
• InChIKey: GAWWDKYRWRUCOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
• IUPAC Traditional name: 2-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
• Synonyms: 2-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide

Database IDs

• MDL Number: MFCD10686781
• PubChem SID: 164312070
• PubChem CID: 28819377

CALCULATED PROPERTIES

• Acid pKa: 9.644897
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.46297514
• LogD (pH = 7.4): -0.46528652
• Log P: -0.46294555
• Molar Refractivity: 40.5138 cm^3
• Polarizability: 14.197606 Å^3
• Polar Surface Area: 68.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.413

Product Information

• Purity: 95%