2-(4-{[1,3]oxazolo[4,5-b]pyridin-2-yl}morpholin-2-yl)ethan-1-amine

• ChemBase ID: 306418
• Molecular Formular: C12H16N4O2
• Molecular Mass: 248.28104
• Monoisotopic Mass: 248.12732577
• SMILES: n1c(N2CC(OCC2)CCN)oc2c1nccc2
• Canonical SMILES: NCCC1OCCN(C1)c1nc2c(o1)cccn2
• InChI: InChI=1S/C12H16N4O2/c13-4-3-9-8-16(6-7-17-9)12-15-11-10(18-12)2-1-5-14-11/h1-2,5,9H,3-4,6-8,13H2
• InChIKey: QDIQCURZTOQUOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-{[1,3]oxazolo[4,5-b]pyridin-2-yl}morpholin-2-yl)ethan-1-amine
• IUPAC Traditional name: 2-(4-{[1,3]oxazolo[4,5-b]pyridin-2-yl}morpholin-2-yl)ethanamine
• Synonyms: 2-(4-[1,3]oxazolo[4,5-b]pyridin-2-ylmorpholin-2-yl)ethanamine

Database IDs

• CAS Number: 1035840-93-7
• MDL Number: MFCD09701662

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.698479
• LogD (pH = 7.4): -2.2299573
• Log P: 0.32373396
• Molar Refractivity: 67.6008 cm^3
• Polarizability: 25.957335 Å^3
• Polar Surface Area: 77.41 Å^2