5-methyl-N-(piperidin-4-yl)-1,2-oxazole-3-carboxamide hydrochloride

• ChemBase ID: 263688
• Molecular Formular: C10H16ClN3O2
• Molecular Mass: 245.70594
• Monoisotopic Mass: 245.09310445
• SMILES: c1(noc(c1)C)C(=O)NC1CCNCC1.Cl
• Canonical SMILES: O=C(c1noc(c1)C)NC1CCNCC1.Cl
• InChI: InChI=1S/C10H15N3O2.ClH/c1-7-6-9(13-15-7)10(14)12-8-2-4-11-5-3-8;/h6,8,11H,2-5H2,1H3,(H,12,14);1H
• InChIKey: DEBOEKQNOZBFJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-N-(piperidin-4-yl)-1,2-oxazole-3-carboxamide hydrochloride
• IUPAC Traditional name: 5-methyl-N-(piperidin-4-yl)-1,2-oxazole-3-carboxamide hydrochloride
• Synonyms: 5-methyl-N-(piperidin-4-yl)-1,2-oxazole-3-carboxamide hydrochloride

Database IDs

• MDL Number: MFCD13196153
• PubChem SID: 164319598
• PubChem CID: 45792402

CALCULATED PROPERTIES

• Acid pKa: 12.551368
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.57892
• LogD (pH = 7.4): -2.8945222
• Log P: -0.3587226
• Molar Refractivity: 56.4092 cm^3
• Polarizability: 20.973612 Å^3
• Polar Surface Area: 67.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 300 - 302°C
• Hydrophobicity(logP): -0.472

Product Information

• Purity: 95%