1-{5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl}piperidin-4-amine hydrochloride

• ChemBase ID: 33140
• Molecular Formular: C12H17ClN4O
• Molecular Mass: 268.74258
• Monoisotopic Mass: 268.10908886
• SMILES: n1c(oc2c1nc(cc2)C)N1CCC(CC1)N.Cl
• Canonical SMILES: NC1CCN(CC1)c1nc2c(o1)ccc(n2)C.Cl
• InChI: InChI=1S/C12H16N4O.ClH/c1-8-2-3-10-11(14-8)15-12(17-10)16-6-4-9(13)5-7-16;/h2-3,9H,4-7,13H2,1H3;1H
• InChIKey: GRHPYPCZNZMNHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl}piperidin-4-amine hydrochloride
• IUPAC Traditional name: 1-{5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl}piperidin-4-amine hydrochloride
• Synonyms: 1-(5-Methyl[1,3]oxazolo[4,5-b]pyridin-2-yl)-piperidin-4-amine hydrochloride

Database IDs

• MDL Number: MFCD11696382
• PubChem SID: 160996447
• PubChem CID: 44118442

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.4574249
• LogD (pH = 7.4): -1.9231567
• Log P: 0.5620394
• Molar Refractivity: 66.0142 cm^3
• Polarizability: 25.171602 Å^3
• Polar Surface Area: 68.18 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false