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

• ChemBase ID: 33136
• Molecular Formular: C11H15ClN4O
• Molecular Mass: 254.716
• Monoisotopic Mass: 254.0934388
• SMILES: n1c(oc2c1nccc2)N1CCC(CC1)N.Cl
• Canonical SMILES: NC1CCN(CC1)c1nc2c(o1)cccn2.Cl
• InChI: InChI=1S/C11H14N4O.ClH/c12-8-3-6-15(7-4-8)11-14-10-9(16-11)2-1-5-13-10;/h1-2,5,8H,3-4,6-7,12H2;1H
• InChIKey: AQQKYQDAHFSPOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11696379
• PubChem SID: 160996443
• PubChem CID: 44118441

CALCULATED PROPERTIES

• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.588794
• LogD (pH = 7.4): -2.0545268
• Log P: 0.4306692
• Molar Refractivity: 61.4227 cm^3
• Polarizability: 23.410173 Å^3
• Polar Surface Area: 68.18 Å^2

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false