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

• ChemBase ID: 306431
• Molecular Formular: C11H14N4O
• Molecular Mass: 218.25506
• Monoisotopic Mass: 218.11676109
• SMILES: n1c(oc2c1nccc2)N1CCC(CC1)N
• Canonical SMILES: NC1CCN(CC1)c1nc2c(o1)cccn2
• InChI: InChI=1S/C11H14N4O/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
• InChIKey: OKOSZVYZLQWXIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1035840-63-1
• MDL Number: MFCD09701650

CALCULATED PROPERTIES

• 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