[1,3]oxazolo[5,4-b]pyridin-2-amine dihydrochloride

• ChemBase ID: 292627
• Molecular Formular: C6H7Cl2N3O
• Molecular Mass: 208.04528
• Monoisotopic Mass: 206.99661722
• SMILES: Cl.Cl.Nc1nc2c(o1)nccc2
• Canonical SMILES: Nc1nc2c(o1)nccc2.Cl.Cl
• InChI: InChI=1S/C6H5N3O.2ClH/c7-6-9-4-2-1-3-8-5(4)10-6;;/h1-3H,(H2,7,9);2*1H
• InChIKey: GJGZYHLMTURAJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1,3]oxazolo[5,4-b]pyridin-2-amine dihydrochloride
• IUPAC Traditional name: [1,3]oxazolo[5,4-b]pyridin-2-amine dihydrochloride
• Synonyms: Oxazolo[5,4-b]pyridin-2-amine dihydrochloride

Database IDs

• CAS Number: 909854-99-5
• PubChem SID: 180678158
• PubChem CID: 70701013

CALCULATED PROPERTIES

• Acid pKa: 14.090821
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.32497904
• LogD (pH = 7.4): 0.324979
• Log P: 0.3249791
• Molar Refractivity: 34.6925 cm^3
• Polarizability: 13.419638 Å^3
• Polar Surface Area: 64.94 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%