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

C4H6ClNO2 — CID 7058042

IUPAC(5S)-5-(chloromethyl)-1,3-oxazolidin-2-one
SMILESO=C1NC[C@@H](CCl)O1
InChIInChI=1S/C4H6ClNO2/c5-1-3-2-6-4(7)8-3/h3H,1-2H2,(H,6,7)/t3-/m1/s1
InChIKeyFNOZCEQRXKPZEZ-GSVOUGTGSA-N
MW135.55 g/mol
LogP0.33
Rot. Bonds1

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

(5S)-5-(chloromethyl)-1,3-oxazolidin-2-one (PubChem CID 7058042) has the molecular formula C4H6ClNO2 and a molecular weight of 135.55 g/mol. Its IUPAC name is (5S)-5-(chloromethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(chloromethyl)-1,3-oxazolidin-2-one
PubChem CID7058042
Molecular FormulaC4H6ClNO2
Molecular Weight135.55 g/mol
Exact Mass135.01
IUPAC Name(5S)-5-(chloromethyl)-1,3-oxazolidin-2-one
SMILESO=C1NC[C@@H](CCl)O1
InChIInChI=1S/C4H6ClNO2/c5-1-3-2-6-4(7)8-3/h3H,1-2H2,(H,6,7)/t3-/m1/s1
InChIKeyFNOZCEQRXKPZEZ-GSVOUGTGSA-N
XLogP0.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.55
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(chloromethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-(chloromethyl)-1,3-oxazolidin-2-one (CID 7058042) is (5S)-5-(chloromethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-(chloromethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-(chloromethyl)-1,3-oxazolidin-2-one is O=C1NC[C@@H](CCl)O1.
What is the InChIKey of (5S)-5-(chloromethyl)-1,3-oxazolidin-2-one?
The InChIKey is FNOZCEQRXKPZEZ-GSVOUGTGSA-N. The full InChI is InChI=1S/C4H6ClNO2/c5-1-3-2-6-4(7)8-3/h3H,1-2H2,(H,6,7)/t3-/m1/s1.
What are the key properties of (5S)-5-(chloromethyl)-1,3-oxazolidin-2-one?
(5S)-5-(chloromethyl)-1,3-oxazolidin-2-one has a molecular weight of 135.55 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(chloromethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 7058042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).