(2R,4S)-2-chloro-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-5-one

C5H8ClNO3 — CID 90463771

IUPAC(2R,4S)-2-chloro-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-5-one
SMILESC[C@@H](O)[C@@H]1N[C@@H](Cl)OC1=O
InChIInChI=1S/C5H8ClNO3/c1-2(8)3-4(9)10-5(6)7-3/h2-3,5,7-8H,1H3/t2-,3+,5-/m1/s1
InChIKeyIYXHRTLOVMIOOF-HFDJDUASSA-N
MW165.58 g/mol
LogP-0.60
Rot. Bonds1

About (2R,4S)-2-chloro-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-5-one

(2R,4S)-2-chloro-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-5-one (PubChem CID 90463771) has the molecular formula C5H8ClNO3 and a molecular weight of 165.58 g/mol. Its IUPAC name is (2R,4S)-2-chloro-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-5-one.

Molecular Properties

Compound Name(2R,4S)-2-chloro-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-5-one
PubChem CID90463771
Molecular FormulaC5H8ClNO3
Molecular Weight165.58 g/mol
Exact Mass165.02
IUPAC Name(2R,4S)-2-chloro-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-5-one
SMILESC[C@@H](O)[C@@H]1N[C@@H](Cl)OC1=O
InChIInChI=1S/C5H8ClNO3/c1-2(8)3-4(9)10-5(6)7-3/h2-3,5,7-8H,1H3/t2-,3+,5-/m1/s1
InChIKeyIYXHRTLOVMIOOF-HFDJDUASSA-N
XLogP-0.60
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.58
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-chloro-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-5-one?
The IUPAC name of (2R,4S)-2-chloro-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-5-one (CID 90463771) is (2R,4S)-2-chloro-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-5-one.
What is the SMILES notation for (2R,4S)-2-chloro-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-5-one?
The canonical SMILES for (2R,4S)-2-chloro-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-5-one is C[C@@H](O)[C@@H]1N[C@@H](Cl)OC1=O.
What is the InChIKey of (2R,4S)-2-chloro-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-5-one?
The InChIKey is IYXHRTLOVMIOOF-HFDJDUASSA-N. The full InChI is InChI=1S/C5H8ClNO3/c1-2(8)3-4(9)10-5(6)7-3/h2-3,5,7-8H,1H3/t2-,3+,5-/m1/s1.
What are the key properties of (2R,4S)-2-chloro-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-5-one?
(2R,4S)-2-chloro-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-5-one has a molecular weight of 165.58 g/mol, XLogP of -0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-chloro-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-5-one is sourced from PubChem (CID 90463771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).