3-bromo-5-ethyl-1,2-oxazole-4-carbaldehyde

C6H6BrNO2 — CID 83908631

IUPAC3-bromo-5-ethyl-1,2-oxazole-4-carbaldehyde
SMILESCCc1onc(Br)c1C=O
InChIInChI=1S/C6H6BrNO2/c1-2-5-4(3-9)6(7)8-10-5/h3H,2H2,1H3
InChIKeyFCSUEWAZSYESSA-UHFFFAOYSA-N
MW204.02 g/mol
LogP1.81
Rot. Bonds2

About 3-bromo-5-ethyl-1,2-oxazole-4-carbaldehyde

3-bromo-5-ethyl-1,2-oxazole-4-carbaldehyde (PubChem CID 83908631) has the molecular formula C6H6BrNO2 and a molecular weight of 204.02 g/mol. Its IUPAC name is 3-bromo-5-ethyl-1,2-oxazole-4-carbaldehyde.

Molecular Properties

Compound Name3-bromo-5-ethyl-1,2-oxazole-4-carbaldehyde
PubChem CID83908631
Molecular FormulaC6H6BrNO2
Molecular Weight204.02 g/mol
Exact Mass202.96
IUPAC Name3-bromo-5-ethyl-1,2-oxazole-4-carbaldehyde
SMILESCCc1onc(Br)c1C=O
InChIInChI=1S/C6H6BrNO2/c1-2-5-4(3-9)6(7)8-10-5/h3H,2H2,1H3
InChIKeyFCSUEWAZSYESSA-UHFFFAOYSA-N
XLogP1.81
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.02
LogP ≤ 51.81
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 3-bromo-5-ethyl-1,2-oxazole-4-carbaldehyde?
The IUPAC name of 3-bromo-5-ethyl-1,2-oxazole-4-carbaldehyde (CID 83908631) is 3-bromo-5-ethyl-1,2-oxazole-4-carbaldehyde.
What is the SMILES notation for 3-bromo-5-ethyl-1,2-oxazole-4-carbaldehyde?
The canonical SMILES for 3-bromo-5-ethyl-1,2-oxazole-4-carbaldehyde is CCc1onc(Br)c1C=O.
What is the InChIKey of 3-bromo-5-ethyl-1,2-oxazole-4-carbaldehyde?
The InChIKey is FCSUEWAZSYESSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrNO2/c1-2-5-4(3-9)6(7)8-10-5/h3H,2H2,1H3.
What are the key properties of 3-bromo-5-ethyl-1,2-oxazole-4-carbaldehyde?
3-bromo-5-ethyl-1,2-oxazole-4-carbaldehyde has a molecular weight of 204.02 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-ethyl-1,2-oxazole-4-carbaldehyde is sourced from PubChem (CID 83908631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).