2-(5-bromo-3-pyridinyl)-1,3-oxazole

C8H5BrN2O — CID 59108566

IUPAC2-(5-bromo-3-pyridinyl)-1,3-oxazole
SMILESBrc1cncc(-c2ncco2)c1
InChIInChI=1S/C8H5BrN2O/c9-7-3-6(4-10-5-7)8-11-1-2-12-8/h1-5H
InChIKeyGOAIPNFWVDIVCD-UHFFFAOYSA-N
MW225.05 g/mol
LogP2.50
Rot. Bonds1

About 2-(5-bromo-3-pyridinyl)-1,3-oxazole

2-(5-bromo-3-pyridinyl)-1,3-oxazole (PubChem CID 59108566) has the molecular formula C8H5BrN2O and a molecular weight of 225.05 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1,3-oxazole
PubChem CID59108566
Molecular FormulaC8H5BrN2O
Molecular Weight225.05 g/mol
Exact Mass223.96
IUPAC Name2-(5-bromo-3-pyridinyl)-1,3-oxazole
SMILESBrc1cncc(-c2ncco2)c1
InChIInChI=1S/C8H5BrN2O/c9-7-3-6(4-10-5-7)8-11-1-2-12-8/h1-5H
InChIKeyGOAIPNFWVDIVCD-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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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1,3-oxazole?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1,3-oxazole (CID 59108566) is 2-(5-bromo-3-pyridinyl)-1,3-oxazole.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1,3-oxazole?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1,3-oxazole is Brc1cncc(-c2ncco2)c1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1,3-oxazole?
The InChIKey is GOAIPNFWVDIVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2O/c9-7-3-6(4-10-5-7)8-11-1-2-12-8/h1-5H.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1,3-oxazole?
2-(5-bromo-3-pyridinyl)-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-(5-bromo-3-pyridinyl)-1,3-oxazole is sourced from PubChem (CID 59108566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).