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

• ChemBase ID: 306408
• Molecular Formular: C11H14N4O2
• Molecular Mass: 234.25446
• Monoisotopic Mass: 234.11167571
• SMILES: n1c(N2CC(OCC2)CN)oc2c1nccc2
• Canonical SMILES: NCC1OCCN(C1)c1nc2c(o1)cccn2
• InChI: InChI=1S/C11H14N4O2/c12-6-8-7-15(4-5-16-8)11-14-10-9(17-11)2-1-3-13-10/h1-3,8H,4-7,12H2
• InChIKey: ODZZNBTUTOBSGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1035840-60-8
• MDL Number: MFCD09701648

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.663753
• LogD (pH = 7.4): -1.4184448
• Log P: 0.26377422
• Molar Refractivity: 62.7354 cm^3
• Polarizability: 24.121984 Å^3
• Polar Surface Area: 77.41 Å^2