N-(5-methyl-1,2-oxazol-3-yl)-2-(piperazin-1-yl)acetamide

• ChemBase ID: 252458
• Molecular Formular: C10H16N4O2
• Molecular Mass: 224.25964
• Monoisotopic Mass: 224.12732577
• SMILES: c1(noc(c1)C)NC(=O)CN1CCNCC1
• Canonical SMILES: O=C(Nc1noc(c1)C)CN1CCNCC1
• InChI: InChI=1S/C10H16N4O2/c1-8-6-9(13-16-8)12-10(15)7-14-4-2-11-3-5-14/h6,11H,2-5,7H2,1H3,(H,12,13,15)
• InChIKey: SFBVVWOHYUMECE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-methyl-1,2-oxazol-3-yl)-2-(piperazin-1-yl)acetamide
• IUPAC Traditional name: N-(5-methyl-1,2-oxazol-3-yl)-2-(piperazin-1-yl)acetamide
• Synonyms: N-(5-methylisoxazol-3-yl)-2-piperazin-1-ylacetamide

Database IDs

• MDL Number: MFCD08444330
• PubChem SID: 164308368
• PubChem CID: 16227227

CALCULATED PROPERTIES

• Acid pKa: 11.0603695
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.2933455
• LogD (pH = 7.4): -1.7927401
• Log P: -0.27490944
• Molar Refractivity: 62.0106 cm^3
• Polarizability: 22.691944 Å^3
• Polar Surface Area: 70.4 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 114 - 116°C
• Hydrophobicity(logP): -0.06

Product Information

• Purity: 95%