2-iodo-1,3-oxazolidin-5-one

C3H4INO2 — CID 66734035

IUPAC2-iodo-1,3-oxazolidin-5-one
SMILESO=C1CNC(I)O1
InChIInChI=1S/C3H4INO2/c4-3-5-1-2(6)7-3/h3,5H,1H2
InChIKeyRKEFIAGKFJHXLF-UHFFFAOYSA-N
MW212.97 g/mol
LogP-0.15
Rot. Bonds

About 2-iodo-1,3-oxazolidin-5-one

2-iodo-1,3-oxazolidin-5-one (PubChem CID 66734035) has the molecular formula C3H4INO2 and a molecular weight of 212.97 g/mol. Its IUPAC name is 2-iodo-1,3-oxazolidin-5-one.

Molecular Properties

Compound Name2-iodo-1,3-oxazolidin-5-one
PubChem CID66734035
Molecular FormulaC3H4INO2
Molecular Weight212.97 g/mol
Exact Mass212.93
IUPAC Name2-iodo-1,3-oxazolidin-5-one
SMILESO=C1CNC(I)O1
InChIInChI=1S/C3H4INO2/c4-3-5-1-2(6)7-3/h3,5H,1H2
InChIKeyRKEFIAGKFJHXLF-UHFFFAOYSA-N
XLogP-0.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.97
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-iodo-1,3-oxazolidin-5-one?
The IUPAC name of 2-iodo-1,3-oxazolidin-5-one (CID 66734035) is 2-iodo-1,3-oxazolidin-5-one.
What is the SMILES notation for 2-iodo-1,3-oxazolidin-5-one?
The canonical SMILES for 2-iodo-1,3-oxazolidin-5-one is O=C1CNC(I)O1.
What is the InChIKey of 2-iodo-1,3-oxazolidin-5-one?
The InChIKey is RKEFIAGKFJHXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4INO2/c4-3-5-1-2(6)7-3/h3,5H,1H2.
What are the key properties of 2-iodo-1,3-oxazolidin-5-one?
2-iodo-1,3-oxazolidin-5-one has a molecular weight of 212.97 g/mol, XLogP of -0.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-1,3-oxazolidin-5-one is sourced from PubChem (CID 66734035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).