2-bromo-4-(2,5-dimethylfuran-3-yl)-1,3-oxazole

C9H8BrNO2 — CID 102974647

IUPAC2-bromo-4-(2,5-dimethylfuran-3-yl)-1,3-oxazole
SMILESCc1cc(-c2coc(Br)n2)c(C)o1
InChIInChI=1S/C9H8BrNO2/c1-5-3-7(6(2)13-5)8-4-12-9(10)11-8/h3-4H,1-2H3
InChIKeyPHJUMXFCPQSXLD-UHFFFAOYSA-N
MW242.07 g/mol
LogP3.31
Rot. Bonds1

About 2-bromo-4-(2,5-dimethylfuran-3-yl)-1,3-oxazole

2-bromo-4-(2,5-dimethylfuran-3-yl)-1,3-oxazole (PubChem CID 102974647) has the molecular formula C9H8BrNO2 and a molecular weight of 242.07 g/mol. Its IUPAC name is 2-bromo-4-(2,5-dimethylfuran-3-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-bromo-4-(2,5-dimethylfuran-3-yl)-1,3-oxazole
PubChem CID102974647
Molecular FormulaC9H8BrNO2
Molecular Weight242.07 g/mol
Exact Mass240.97
IUPAC Name2-bromo-4-(2,5-dimethylfuran-3-yl)-1,3-oxazole
SMILESCc1cc(-c2coc(Br)n2)c(C)o1
InChIInChI=1S/C9H8BrNO2/c1-5-3-7(6(2)13-5)8-4-12-9(10)11-8/h3-4H,1-2H3
InChIKeyPHJUMXFCPQSXLD-UHFFFAOYSA-N
XLogP3.31
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.07
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2,5-dimethylfuran-3-yl)-1,3-oxazole?
The IUPAC name of 2-bromo-4-(2,5-dimethylfuran-3-yl)-1,3-oxazole (CID 102974647) is 2-bromo-4-(2,5-dimethylfuran-3-yl)-1,3-oxazole.
What is the SMILES notation for 2-bromo-4-(2,5-dimethylfuran-3-yl)-1,3-oxazole?
The canonical SMILES for 2-bromo-4-(2,5-dimethylfuran-3-yl)-1,3-oxazole is Cc1cc(-c2coc(Br)n2)c(C)o1.
What is the InChIKey of 2-bromo-4-(2,5-dimethylfuran-3-yl)-1,3-oxazole?
The InChIKey is PHJUMXFCPQSXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO2/c1-5-3-7(6(2)13-5)8-4-12-9(10)11-8/h3-4H,1-2H3.
What are the key properties of 2-bromo-4-(2,5-dimethylfuran-3-yl)-1,3-oxazole?
2-bromo-4-(2,5-dimethylfuran-3-yl)-1,3-oxazole has a molecular weight of 242.07 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(2,5-dimethylfuran-3-yl)-1,3-oxazole is sourced from PubChem (CID 102974647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).