2,4-dibromo-1,3-oxazole

C3HBr2NO — CID 84690891

IUPAC2,4-dibromo-1,3-oxazole
SMILESBrc1coc(Br)n1
InChIInChI=1S/C3HBr2NO/c4-2-1-7-3(5)6-2/h1H
InChIKeyHHJMCPWKOXDTLL-UHFFFAOYSA-N
MW226.85 g/mol
LogP2.20
Rot. Bonds

About 2,4-dibromo-1,3-oxazole

2,4-dibromo-1,3-oxazole (PubChem CID 84690891) has the molecular formula C3HBr2NO and a molecular weight of 226.85 g/mol. Its IUPAC name is 2,4-dibromo-1,3-oxazole.

Molecular Properties

Compound Name2,4-dibromo-1,3-oxazole
PubChem CID84690891
Molecular FormulaC3HBr2NO
Molecular Weight226.85 g/mol
Exact Mass224.84
IUPAC Name2,4-dibromo-1,3-oxazole
SMILESBrc1coc(Br)n1
InChIInChI=1S/C3HBr2NO/c4-2-1-7-3(5)6-2/h1H
InChIKeyHHJMCPWKOXDTLL-UHFFFAOYSA-N
XLogP2.20
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.85
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-1,3-oxazole?
The IUPAC name of 2,4-dibromo-1,3-oxazole (CID 84690891) is 2,4-dibromo-1,3-oxazole.
What is the SMILES notation for 2,4-dibromo-1,3-oxazole?
The canonical SMILES for 2,4-dibromo-1,3-oxazole is Brc1coc(Br)n1.
What is the InChIKey of 2,4-dibromo-1,3-oxazole?
The InChIKey is HHJMCPWKOXDTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HBr2NO/c4-2-1-7-3(5)6-2/h1H.
What are the key properties of 2,4-dibromo-1,3-oxazole?
2,4-dibromo-1,3-oxazole has a molecular weight of 226.85 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-1,3-oxazole is sourced from PubChem (CID 84690891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).