5-(chloromethyl)-3-nitroso-1,3-oxazolidin-2-one

C4H5ClN2O3 — CID 55303702

IUPAC5-(chloromethyl)-3-nitroso-1,3-oxazolidin-2-one
SMILESO=NN1CC(CCl)OC1=O
InChIInChI=1S/C4H5ClN2O3/c5-1-3-2-7(6-9)4(8)10-3/h3H,1-2H2
InChIKeyCPPFLEMEVZDBFN-UHFFFAOYSA-N
MW164.55 g/mol
LogP0.73
Rot. Bonds2

About 5-(chloromethyl)-3-nitroso-1,3-oxazolidin-2-one

5-(chloromethyl)-3-nitroso-1,3-oxazolidin-2-one (PubChem CID 55303702) has the molecular formula C4H5ClN2O3 and a molecular weight of 164.55 g/mol. Its IUPAC name is 5-(chloromethyl)-3-nitroso-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(chloromethyl)-3-nitroso-1,3-oxazolidin-2-one
PubChem CID55303702
Molecular FormulaC4H5ClN2O3
Molecular Weight164.55 g/mol
Exact Mass164.00
IUPAC Name5-(chloromethyl)-3-nitroso-1,3-oxazolidin-2-one
SMILESO=NN1CC(CCl)OC1=O
InChIInChI=1S/C4H5ClN2O3/c5-1-3-2-7(6-9)4(8)10-3/h3H,1-2H2
InChIKeyCPPFLEMEVZDBFN-UHFFFAOYSA-N
XLogP0.73
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.55
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-3-nitroso-1,3-oxazolidin-2-one?
The IUPAC name of 5-(chloromethyl)-3-nitroso-1,3-oxazolidin-2-one (CID 55303702) is 5-(chloromethyl)-3-nitroso-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(chloromethyl)-3-nitroso-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(chloromethyl)-3-nitroso-1,3-oxazolidin-2-one is O=NN1CC(CCl)OC1=O.
What is the InChIKey of 5-(chloromethyl)-3-nitroso-1,3-oxazolidin-2-one?
The InChIKey is CPPFLEMEVZDBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClN2O3/c5-1-3-2-7(6-9)4(8)10-3/h3H,1-2H2.
What are the key properties of 5-(chloromethyl)-3-nitroso-1,3-oxazolidin-2-one?
5-(chloromethyl)-3-nitroso-1,3-oxazolidin-2-one has a molecular weight of 164.55 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-3-nitroso-1,3-oxazolidin-2-one is sourced from PubChem (CID 55303702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).