4-ethyl-5-iodo-1,3-oxazole

C5H6INO — CID 167739299

IUPAC4-ethyl-5-iodo-1,3-oxazole
SMILESCCc1ncoc1I
InChIInChI=1S/C5H6INO/c1-2-4-5(6)8-3-7-4/h3H,2H2,1H3
InChIKeySDTSIJHXQHTLEE-UHFFFAOYSA-N
MW223.01 g/mol
LogP1.84
Rot. Bonds1

About 4-ethyl-5-iodo-1,3-oxazole

4-ethyl-5-iodo-1,3-oxazole (PubChem CID 167739299) has the molecular formula C5H6INO and a molecular weight of 223.01 g/mol. Its IUPAC name is 4-ethyl-5-iodo-1,3-oxazole.

Molecular Properties

Compound Name4-ethyl-5-iodo-1,3-oxazole
PubChem CID167739299
Molecular FormulaC5H6INO
Molecular Weight223.01 g/mol
Exact Mass222.95
IUPAC Name4-ethyl-5-iodo-1,3-oxazole
SMILESCCc1ncoc1I
InChIInChI=1S/C5H6INO/c1-2-4-5(6)8-3-7-4/h3H,2H2,1H3
InChIKeySDTSIJHXQHTLEE-UHFFFAOYSA-N
XLogP1.84
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.01
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-ethyl-5-iodo-1,3-oxazole 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 4-ethyl-5-iodo-1,3-oxazole?
The IUPAC name of 4-ethyl-5-iodo-1,3-oxazole (CID 167739299) is 4-ethyl-5-iodo-1,3-oxazole.
What is the SMILES notation for 4-ethyl-5-iodo-1,3-oxazole?
The canonical SMILES for 4-ethyl-5-iodo-1,3-oxazole is CCc1ncoc1I.
What is the InChIKey of 4-ethyl-5-iodo-1,3-oxazole?
The InChIKey is SDTSIJHXQHTLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6INO/c1-2-4-5(6)8-3-7-4/h3H,2H2,1H3.
What are the key properties of 4-ethyl-5-iodo-1,3-oxazole?
4-ethyl-5-iodo-1,3-oxazole has a molecular weight of 223.01 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-iodo-1,3-oxazole is sourced from PubChem (CID 167739299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).