4-bromo-1,3-oxazole-2-carbaldehyde

C4H2BrNO2 — CID 59635605

IUPAC4-bromo-1,3-oxazole-2-carbaldehyde
SMILESO=Cc1nc(Br)co1
InChIInChI=1S/C4H2BrNO2/c5-3-2-8-4(1-7)6-3/h1-2H
InChIKeyRUGXEWGLOJGRNM-UHFFFAOYSA-N
MW175.97 g/mol
LogP1.25
Rot. Bonds1

About 4-bromo-1,3-oxazole-2-carbaldehyde

4-bromo-1,3-oxazole-2-carbaldehyde (PubChem CID 59635605) has the molecular formula C4H2BrNO2 and a molecular weight of 175.97 g/mol. Its IUPAC name is 4-bromo-1,3-oxazole-2-carbaldehyde.

Molecular Properties

Compound Name4-bromo-1,3-oxazole-2-carbaldehyde
PubChem CID59635605
Molecular FormulaC4H2BrNO2
Molecular Weight175.97 g/mol
Exact Mass174.93
IUPAC Name4-bromo-1,3-oxazole-2-carbaldehyde
SMILESO=Cc1nc(Br)co1
InChIInChI=1S/C4H2BrNO2/c5-3-2-8-4(1-7)6-3/h1-2H
InChIKeyRUGXEWGLOJGRNM-UHFFFAOYSA-N
XLogP1.25
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.97
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1,3-oxazole-2-carbaldehyde?
The IUPAC name of 4-bromo-1,3-oxazole-2-carbaldehyde (CID 59635605) is 4-bromo-1,3-oxazole-2-carbaldehyde.
What is the SMILES notation for 4-bromo-1,3-oxazole-2-carbaldehyde?
The canonical SMILES for 4-bromo-1,3-oxazole-2-carbaldehyde is O=Cc1nc(Br)co1.
What is the InChIKey of 4-bromo-1,3-oxazole-2-carbaldehyde?
The InChIKey is RUGXEWGLOJGRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2BrNO2/c5-3-2-8-4(1-7)6-3/h1-2H.
What are the key properties of 4-bromo-1,3-oxazole-2-carbaldehyde?
4-bromo-1,3-oxazole-2-carbaldehyde has a molecular weight of 175.97 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1,3-oxazole-2-carbaldehyde is sourced from PubChem (CID 59635605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).