2,4-diiodo-1,3-oxazole

C3HI2NO — CID 24999692

IUPAC2,4-diiodo-1,3-oxazole
SMILESIc1coc(I)n1
InChIInChI=1S/C3HI2NO/c4-2-1-7-3(5)6-2/h1H
InChIKeyVADMQUDKNXZWFT-UHFFFAOYSA-N
MW320.86 g/mol
LogP1.88
Rot. Bonds

About 2,4-diiodo-1,3-oxazole

2,4-diiodo-1,3-oxazole (PubChem CID 24999692) has the molecular formula C3HI2NO and a molecular weight of 320.86 g/mol. Its IUPAC name is 2,4-diiodo-1,3-oxazole.

Molecular Properties

Compound Name2,4-diiodo-1,3-oxazole
PubChem CID24999692
Molecular FormulaC3HI2NO
Molecular Weight320.86 g/mol
Exact Mass320.81
IUPAC Name2,4-diiodo-1,3-oxazole
SMILESIc1coc(I)n1
InChIInChI=1S/C3HI2NO/c4-2-1-7-3(5)6-2/h1H
InChIKeyVADMQUDKNXZWFT-UHFFFAOYSA-N
XLogP1.88
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.86
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-diiodo-1,3-oxazole?
The IUPAC name of 2,4-diiodo-1,3-oxazole (CID 24999692) is 2,4-diiodo-1,3-oxazole.
What is the SMILES notation for 2,4-diiodo-1,3-oxazole?
The canonical SMILES for 2,4-diiodo-1,3-oxazole is Ic1coc(I)n1.
What is the InChIKey of 2,4-diiodo-1,3-oxazole?
The InChIKey is VADMQUDKNXZWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HI2NO/c4-2-1-7-3(5)6-2/h1H.
What are the key properties of 2,4-diiodo-1,3-oxazole?
2,4-diiodo-1,3-oxazole has a molecular weight of 320.86 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diiodo-1,3-oxazole is sourced from PubChem (CID 24999692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).