2-(Benzyloxy)-6-bromo[1,3]oxazolo[4,5-b]pyridine

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Basic information

CAS: 175424-24-5
Standard SMILES: Brc1cnc2nc(OCc3ccccc3)oc2c1
InChIKey: OOAIOSJOQRVRCR-UHFFFAOYSA-N
Molecular formula: C13H9BrN2O2
Average molar mass: 305.13 g/mol
Monoisotopic mass: 303.98473963

Names & identifiers

Preferred name: 2-(Benzyloxy)-6-bromo[1,3]oxazolo[4,5-b]pyridine
IUPAC: 6-bromo-2-phenylmethoxy-[1,3]oxazolo[4,5-b]pyridine

Names & synonyms

175424-24-52-(Benzyloxy)-6-bromo[1,3]oxazolo[4,5-b]pyridineSCHEMBL8626775DTXSID30597872OOAIOSJOQRVRCR-UHFFFAOYSA-N2-benzyloxy-6-bromooxazolo[4,5-b]pyridine

Database identifiers

CAS: 175424-24-5
PubChem CID: 19079302
DTXSID: DTXSID30597872

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 48.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 274

Related reactions

3 records

New reaction record

HRID 53170As reactantuspto-grants-1997_04

HRID 964019As reactantuspto-grants-1998_06

HRID 1211542As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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