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

C5H8ClNO2 — CID 163584304

IUPAC(5S)-5-(2-chloroethyl)-1,3-oxazolidin-2-one
SMILESO=C1NC[C@H](CCCl)O1
InChIInChI=1S/C5H8ClNO2/c6-2-1-4-3-7-5(8)9-4/h4H,1-3H2,(H,7,8)/t4-/m0/s1
InChIKeyGKEPFKCRSLWTLE-BYPYZUCNSA-N
MW149.58 g/mol
LogP0.72
Rot. Bonds2

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

(5S)-5-(2-chloroethyl)-1,3-oxazolidin-2-one (PubChem CID 163584304) has the molecular formula C5H8ClNO2 and a molecular weight of 149.58 g/mol. Its IUPAC name is (5S)-5-(2-chloroethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(2-chloroethyl)-1,3-oxazolidin-2-one
PubChem CID163584304
Molecular FormulaC5H8ClNO2
Molecular Weight149.58 g/mol
Exact Mass149.02
IUPAC Name(5S)-5-(2-chloroethyl)-1,3-oxazolidin-2-one
SMILESO=C1NC[C@H](CCCl)O1
InChIInChI=1S/C5H8ClNO2/c6-2-1-4-3-7-5(8)9-4/h4H,1-3H2,(H,7,8)/t4-/m0/s1
InChIKeyGKEPFKCRSLWTLE-BYPYZUCNSA-N
XLogP0.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.58
LogP ≤ 50.72
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-(2-chloroethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-(2-chloroethyl)-1,3-oxazolidin-2-one (CID 163584304) is (5S)-5-(2-chloroethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-(2-chloroethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-(2-chloroethyl)-1,3-oxazolidin-2-one is O=C1NC[C@H](CCCl)O1.
What is the InChIKey of (5S)-5-(2-chloroethyl)-1,3-oxazolidin-2-one?
The InChIKey is GKEPFKCRSLWTLE-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H8ClNO2/c6-2-1-4-3-7-5(8)9-4/h4H,1-3H2,(H,7,8)/t4-/m0/s1.
What are the key properties of (5S)-5-(2-chloroethyl)-1,3-oxazolidin-2-one?
(5S)-5-(2-chloroethyl)-1,3-oxazolidin-2-one has a molecular weight of 149.58 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(2-chloroethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 163584304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).