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

C7H9NO2 — CID 13181320

IUPAC5-ethyl-3-methyl-1,2-oxazole-4-carbaldehyde
SMILESCCc1onc(C)c1C=O
InChIInChI=1S/C7H9NO2/c1-3-7-6(4-9)5(2)8-10-7/h4H,3H2,1-2H3
InChIKeyFXXQAJPVKTYGTO-UHFFFAOYSA-N
MW139.15 g/mol
LogP1.36
Rot. Bonds2

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

5-ethyl-3-methyl-1,2-oxazole-4-carbaldehyde (PubChem CID 13181320) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 5-ethyl-3-methyl-1,2-oxazole-4-carbaldehyde.

Molecular Properties

Compound Name5-ethyl-3-methyl-1,2-oxazole-4-carbaldehyde
PubChem CID13181320
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name5-ethyl-3-methyl-1,2-oxazole-4-carbaldehyde
SMILESCCc1onc(C)c1C=O
InChIInChI=1S/C7H9NO2/c1-3-7-6(4-9)5(2)8-10-7/h4H,3H2,1-2H3
InChIKeyFXXQAJPVKTYGTO-UHFFFAOYSA-N
XLogP1.36
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-ethyl-3-methyl-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 5-ethyl-3-methyl-1,2-oxazole-4-carbaldehyde?
The IUPAC name of 5-ethyl-3-methyl-1,2-oxazole-4-carbaldehyde (CID 13181320) is 5-ethyl-3-methyl-1,2-oxazole-4-carbaldehyde.
What is the SMILES notation for 5-ethyl-3-methyl-1,2-oxazole-4-carbaldehyde?
The canonical SMILES for 5-ethyl-3-methyl-1,2-oxazole-4-carbaldehyde is CCc1onc(C)c1C=O.
What is the InChIKey of 5-ethyl-3-methyl-1,2-oxazole-4-carbaldehyde?
The InChIKey is FXXQAJPVKTYGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-3-7-6(4-9)5(2)8-10-7/h4H,3H2,1-2H3.
What are the key properties of 5-ethyl-3-methyl-1,2-oxazole-4-carbaldehyde?
5-ethyl-3-methyl-1,2-oxazole-4-carbaldehyde has a molecular weight of 139.15 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-methyl-1,2-oxazole-4-carbaldehyde is sourced from PubChem (CID 13181320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).