1-(5-methyl-1,2-oxazole-4-carbonyl)piperazine

• ChemBase ID: 264978
• Molecular Formular: C9H13N3O2
• Molecular Mass: 195.21842
• Monoisotopic Mass: 195.10077667
• SMILES: c1(C(=O)N2CCNCC2)c(onc1)C
• Canonical SMILES: O=C(c1cnoc1C)N1CCNCC1
• InChI: InChI=1S/C9H13N3O2/c1-7-8(6-11-14-7)9(13)12-4-2-10-3-5-12/h6,10H,2-5H2,1H3
• InChIKey: RYCFEBKTXIVOSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-methyl-1,2-oxazole-4-carbonyl)piperazine
• IUPAC Traditional name: 1-(5-methyl-1,2-oxazole-4-carbonyl)piperazine
• Synonyms: 1-[(5-methyl-1,2-oxazol-4-yl)carbonyl]piperazine

Database IDs

• MDL Number: MFCD09040663
• PubChem SID: 164320888
• PubChem CID: 16228724

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.9745939
• LogD (pH = 7.4): -1.2607034
• Log P: -0.7005834
• Molar Refractivity: 52.2769 cm^3
• Polarizability: 19.142729 Å^3
• Polar Surface Area: 58.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.476

Product Information

• Purity: 95%