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

C6H7NO2 — CID 83478669

IUPAC3-ethyl-1,2-oxazole-4-carbaldehyde
SMILESCCc1nocc1C=O
InChIInChI=1S/C6H7NO2/c1-2-6-5(3-8)4-9-7-6/h3-4H,2H2,1H3
InChIKeyLWAMTBMTSYIUNG-UHFFFAOYSA-N
MW125.13 g/mol
LogP1.05
Rot. Bonds2

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

3-ethyl-1,2-oxazole-4-carbaldehyde (PubChem CID 83478669) has the molecular formula C6H7NO2 and a molecular weight of 125.13 g/mol. Its IUPAC name is 3-ethyl-1,2-oxazole-4-carbaldehyde.

Molecular Properties

Compound Name3-ethyl-1,2-oxazole-4-carbaldehyde
PubChem CID83478669
Molecular FormulaC6H7NO2
Molecular Weight125.13 g/mol
Exact Mass125.05
IUPAC Name3-ethyl-1,2-oxazole-4-carbaldehyde
SMILESCCc1nocc1C=O
InChIInChI=1S/C6H7NO2/c1-2-6-5(3-8)4-9-7-6/h3-4H,2H2,1H3
InChIKeyLWAMTBMTSYIUNG-UHFFFAOYSA-N
XLogP1.05
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-ethyl-1,2-oxazole-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,2-oxazole-4-carbaldehyde?
The IUPAC name of 3-ethyl-1,2-oxazole-4-carbaldehyde (CID 83478669) is 3-ethyl-1,2-oxazole-4-carbaldehyde.
What is the SMILES notation for 3-ethyl-1,2-oxazole-4-carbaldehyde?
The canonical SMILES for 3-ethyl-1,2-oxazole-4-carbaldehyde is CCc1nocc1C=O.
What is the InChIKey of 3-ethyl-1,2-oxazole-4-carbaldehyde?
The InChIKey is LWAMTBMTSYIUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2/c1-2-6-5(3-8)4-9-7-6/h3-4H,2H2,1H3.
What are the key properties of 3-ethyl-1,2-oxazole-4-carbaldehyde?
3-ethyl-1,2-oxazole-4-carbaldehyde has a molecular weight of 125.13 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,2-oxazole-4-carbaldehyde is sourced from PubChem (CID 83478669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).