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

C3H4ClNO2 — CID 90463792

IUPAC(2R)-2-chloro-1,3-oxazolidin-5-one
SMILESO=C1CN[C@@H](Cl)O1
InChIInChI=1S/C3H4ClNO2/c4-3-5-1-2(6)7-3/h3,5H,1H2/t3-/m1/s1
InChIKeyXRUDNAPYXCYGLB-GSVOUGTGSA-N
MW121.52 g/mol
LogP-0.34
Rot. Bonds

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

(2R)-2-chloro-1,3-oxazolidin-5-one (PubChem CID 90463792) has the molecular formula C3H4ClNO2 and a molecular weight of 121.52 g/mol. Its IUPAC name is (2R)-2-chloro-1,3-oxazolidin-5-one.

Molecular Properties

Compound Name(2R)-2-chloro-1,3-oxazolidin-5-one
PubChem CID90463792
Molecular FormulaC3H4ClNO2
Molecular Weight121.52 g/mol
Exact Mass120.99
IUPAC Name(2R)-2-chloro-1,3-oxazolidin-5-one
SMILESO=C1CN[C@@H](Cl)O1
InChIInChI=1S/C3H4ClNO2/c4-3-5-1-2(6)7-3/h3,5H,1H2/t3-/m1/s1
InChIKeyXRUDNAPYXCYGLB-GSVOUGTGSA-N
XLogP-0.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.52
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-2-chloro-1,3-oxazolidin-5-one?
The IUPAC name of (2R)-2-chloro-1,3-oxazolidin-5-one (CID 90463792) is (2R)-2-chloro-1,3-oxazolidin-5-one.
What is the SMILES notation for (2R)-2-chloro-1,3-oxazolidin-5-one?
The canonical SMILES for (2R)-2-chloro-1,3-oxazolidin-5-one is O=C1CN[C@@H](Cl)O1.
What is the InChIKey of (2R)-2-chloro-1,3-oxazolidin-5-one?
The InChIKey is XRUDNAPYXCYGLB-GSVOUGTGSA-N. The full InChI is InChI=1S/C3H4ClNO2/c4-3-5-1-2(6)7-3/h3,5H,1H2/t3-/m1/s1.
What are the key properties of (2R)-2-chloro-1,3-oxazolidin-5-one?
(2R)-2-chloro-1,3-oxazolidin-5-one has a molecular weight of 121.52 g/mol, XLogP of -0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-1,3-oxazolidin-5-one is sourced from PubChem (CID 90463792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).