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

C5H6INO — CID 71084968

IUPAC4-ethyl-2-iodo-1,3-oxazole
SMILESCCc1coc(I)n1
InChIInChI=1S/C5H6INO/c1-2-4-3-8-5(6)7-4/h3H,2H2,1H3
InChIKeyBSTRILBAKIINST-UHFFFAOYSA-N
MW223.01 g/mol
LogP1.84
Rot. Bonds1

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

4-ethyl-2-iodo-1,3-oxazole (PubChem CID 71084968) has the molecular formula C5H6INO and a molecular weight of 223.01 g/mol. Its IUPAC name is 4-ethyl-2-iodo-1,3-oxazole.

Molecular Properties

Compound Name4-ethyl-2-iodo-1,3-oxazole
PubChem CID71084968
Molecular FormulaC5H6INO
Molecular Weight223.01 g/mol
Exact Mass222.95
IUPAC Name4-ethyl-2-iodo-1,3-oxazole
SMILESCCc1coc(I)n1
InChIInChI=1S/C5H6INO/c1-2-4-3-8-5(6)7-4/h3H,2H2,1H3
InChIKeyBSTRILBAKIINST-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-2-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

Related Compounds

4-Methyl-2-propyl-1,3-oxazole
CID 528409
4-Ethyl-2-methyloxazole
CID 525785
4-Ethyl-1,3-oxazole
CID 17942984
2-(1,3-Oxazol-4-yl)acetonitrile
CID 44119602
2-Methyl-4-oxazoleacetonitrile
CID 44119605
2-Bromo-4-methyl-1,3-oxazole
CID 46912010
2-Iodo-4-methyl-1,3-oxazole
CID 57682489
4-Ethyl-1,3-oxazole-2-carbaldehyde
CID 58884863
2-Bromo-4-tert-butyl-1,3-oxazole
CID 97627617
2-Bromo-4-ethyl-1,3-oxazole
CID 112756757
2-Methyl-4-t-butyloxazole
CID 12537914
2-Bromo-4-propyl-1,3-oxazole
CID 102974624

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-iodo-1,3-oxazole?
The IUPAC name of 4-ethyl-2-iodo-1,3-oxazole (CID 71084968) is 4-ethyl-2-iodo-1,3-oxazole.
What is the SMILES notation for 4-ethyl-2-iodo-1,3-oxazole?
The canonical SMILES for 4-ethyl-2-iodo-1,3-oxazole is CCc1coc(I)n1.
What is the InChIKey of 4-ethyl-2-iodo-1,3-oxazole?
The InChIKey is BSTRILBAKIINST-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6INO/c1-2-4-3-8-5(6)7-4/h3H,2H2,1H3.
What are the key properties of 4-ethyl-2-iodo-1,3-oxazole?
4-ethyl-2-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-2-iodo-1,3-oxazole is sourced from PubChem (CID 71084968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).