5-(bromomethyl)-3-chloro-1,3-oxazolidin-2-one

C4H5BrClNO2 — CID 19811970

IUPAC5-(bromomethyl)-3-chloro-1,3-oxazolidin-2-one
SMILESO=C1OC(CBr)CN1Cl
InChIInChI=1S/C4H5BrClNO2/c5-1-3-2-7(6)4(8)9-3/h3H,1-2H2
InChIKeyXJZNKMSKVJCYRC-UHFFFAOYSA-N
MW214.45 g/mol
LogP1.36
Rot. Bonds1

About 5-(bromomethyl)-3-chloro-1,3-oxazolidin-2-one

5-(bromomethyl)-3-chloro-1,3-oxazolidin-2-one (PubChem CID 19811970) has the molecular formula C4H5BrClNO2 and a molecular weight of 214.45 g/mol. Its IUPAC name is 5-(bromomethyl)-3-chloro-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(bromomethyl)-3-chloro-1,3-oxazolidin-2-one
PubChem CID19811970
Molecular FormulaC4H5BrClNO2
Molecular Weight214.45 g/mol
Exact Mass212.92
IUPAC Name5-(bromomethyl)-3-chloro-1,3-oxazolidin-2-one
SMILESO=C1OC(CBr)CN1Cl
InChIInChI=1S/C4H5BrClNO2/c5-1-3-2-7(6)4(8)9-3/h3H,1-2H2
InChIKeyXJZNKMSKVJCYRC-UHFFFAOYSA-N
XLogP1.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.45
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-3-chloro-1,3-oxazolidin-2-one?
The IUPAC name of 5-(bromomethyl)-3-chloro-1,3-oxazolidin-2-one (CID 19811970) is 5-(bromomethyl)-3-chloro-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(bromomethyl)-3-chloro-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(bromomethyl)-3-chloro-1,3-oxazolidin-2-one is O=C1OC(CBr)CN1Cl.
What is the InChIKey of 5-(bromomethyl)-3-chloro-1,3-oxazolidin-2-one?
The InChIKey is XJZNKMSKVJCYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5BrClNO2/c5-1-3-2-7(6)4(8)9-3/h3H,1-2H2.
What are the key properties of 5-(bromomethyl)-3-chloro-1,3-oxazolidin-2-one?
5-(bromomethyl)-3-chloro-1,3-oxazolidin-2-one has a molecular weight of 214.45 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-3-chloro-1,3-oxazolidin-2-one is sourced from PubChem (CID 19811970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).