2-bromo-5-pyridin-2-yl-1,3-oxazole

C8H5BrN2O — CID 83382777

IUPAC2-bromo-5-pyridin-2-yl-1,3-oxazole
SMILESBrc1ncc(-c2ccccn2)o1
InChIInChI=1S/C8H5BrN2O/c9-8-11-5-7(12-8)6-3-1-2-4-10-6/h1-5H
InChIKeyPQMOEEXNSDIFLV-UHFFFAOYSA-N
MW225.05 g/mol
LogP2.50
Rot. Bonds1

About 2-bromo-5-pyridin-2-yl-1,3-oxazole

2-bromo-5-pyridin-2-yl-1,3-oxazole (PubChem CID 83382777) has the molecular formula C8H5BrN2O and a molecular weight of 225.05 g/mol. Its IUPAC name is 2-bromo-5-pyridin-2-yl-1,3-oxazole.

Molecular Properties

Compound Name2-bromo-5-pyridin-2-yl-1,3-oxazole
PubChem CID83382777
Molecular FormulaC8H5BrN2O
Molecular Weight225.05 g/mol
Exact Mass223.96
IUPAC Name2-bromo-5-pyridin-2-yl-1,3-oxazole
SMILESBrc1ncc(-c2ccccn2)o1
InChIInChI=1S/C8H5BrN2O/c9-8-11-5-7(12-8)6-3-1-2-4-10-6/h1-5H
InChIKeyPQMOEEXNSDIFLV-UHFFFAOYSA-N
XLogP2.50
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.05
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dipyridin-2-yl-1,3-oxazole
CID 67299050
2-(5-pyridin-2-ylfuran-2-yl)pyridine
CID 21113617
2-bromo-5-(2-chlorophenyl)-1,3-oxazole
CID 117259589
2-chloro-2-(5-pyridin-2-yl-1,3-oxazol-2-yl)ethanol
CID 67532555
1-(5-pyridin-2-yl-1,3-oxazol-2-yl)prop-2-en-1-one
CID 66775639
2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-pyridin-2-yl-1,3-oxazole?
The IUPAC name of 2-bromo-5-pyridin-2-yl-1,3-oxazole (CID 83382777) is 2-bromo-5-pyridin-2-yl-1,3-oxazole.
What is the SMILES notation for 2-bromo-5-pyridin-2-yl-1,3-oxazole?
The canonical SMILES for 2-bromo-5-pyridin-2-yl-1,3-oxazole is Brc1ncc(-c2ccccn2)o1.
What is the InChIKey of 2-bromo-5-pyridin-2-yl-1,3-oxazole?
The InChIKey is PQMOEEXNSDIFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2O/c9-8-11-5-7(12-8)6-3-1-2-4-10-6/h1-5H.
What are the key properties of 2-bromo-5-pyridin-2-yl-1,3-oxazole?
2-bromo-5-pyridin-2-yl-1,3-oxazole has a molecular weight of 225.05 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-pyridin-2-yl-1,3-oxazole is sourced from PubChem (CID 83382777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).