4,4,5,5-tetraiodo-1,3-oxazolidin-2-one

C3HI4NO2 — CID 174875312

IUPAC4,4,5,5-tetraiodo-1,3-oxazolidin-2-one
SMILESO=C1NC(I)(I)C(I)(I)O1
InChIInChI=1S/C3HI4NO2/c4-2(5)3(6,7)10-1(9)8-2/h(H,8,9)
InChIKeyGHLBYYAZIKQYHN-UHFFFAOYSA-N
MW590.66 g/mol
LogP2.77
Rot. Bonds

About 4,4,5,5-tetraiodo-1,3-oxazolidin-2-one

4,4,5,5-tetraiodo-1,3-oxazolidin-2-one (PubChem CID 174875312) has the molecular formula C3HI4NO2 and a molecular weight of 590.66 g/mol. Its IUPAC name is 4,4,5,5-tetraiodo-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4,4,5,5-tetraiodo-1,3-oxazolidin-2-one
PubChem CID174875312
Molecular FormulaC3HI4NO2
Molecular Weight590.66 g/mol
Exact Mass590.62
IUPAC Name4,4,5,5-tetraiodo-1,3-oxazolidin-2-one
SMILESO=C1NC(I)(I)C(I)(I)O1
InChIInChI=1S/C3HI4NO2/c4-2(5)3(6,7)10-1(9)8-2/h(H,8,9)
InChIKeyGHLBYYAZIKQYHN-UHFFFAOYSA-N
XLogP2.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500590.66
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetraiodo-1,3-oxazolidin-2-one?
The IUPAC name of 4,4,5,5-tetraiodo-1,3-oxazolidin-2-one (CID 174875312) is 4,4,5,5-tetraiodo-1,3-oxazolidin-2-one.
What is the SMILES notation for 4,4,5,5-tetraiodo-1,3-oxazolidin-2-one?
The canonical SMILES for 4,4,5,5-tetraiodo-1,3-oxazolidin-2-one is O=C1NC(I)(I)C(I)(I)O1.
What is the InChIKey of 4,4,5,5-tetraiodo-1,3-oxazolidin-2-one?
The InChIKey is GHLBYYAZIKQYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HI4NO2/c4-2(5)3(6,7)10-1(9)8-2/h(H,8,9).
What are the key properties of 4,4,5,5-tetraiodo-1,3-oxazolidin-2-one?
4,4,5,5-tetraiodo-1,3-oxazolidin-2-one has a molecular weight of 590.66 g/mol, XLogP of 2.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetraiodo-1,3-oxazolidin-2-one is sourced from PubChem (CID 174875312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).