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

C5H6ClNO3 — CID 129365934

IUPAC(5R)-3-acetyl-5-chloro-1,3-oxazolidin-2-one
SMILESCC(=O)N1C[C@@H](Cl)OC1=O
InChIInChI=1S/C5H6ClNO3/c1-3(8)7-2-4(6)10-5(7)9/h4H,2H2,1H3/t4-/m0/s1
InChIKeyONVLCLQGPNDMIJ-BYPYZUCNSA-N
MW163.56 g/mol
LogP0.55
Rot. Bonds

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

(5R)-3-acetyl-5-chloro-1,3-oxazolidin-2-one (PubChem CID 129365934) has the molecular formula C5H6ClNO3 and a molecular weight of 163.56 g/mol. Its IUPAC name is (5R)-3-acetyl-5-chloro-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-acetyl-5-chloro-1,3-oxazolidin-2-one
PubChem CID129365934
Molecular FormulaC5H6ClNO3
Molecular Weight163.56 g/mol
Exact Mass163.00
IUPAC Name(5R)-3-acetyl-5-chloro-1,3-oxazolidin-2-one
SMILESCC(=O)N1C[C@@H](Cl)OC1=O
InChIInChI=1S/C5H6ClNO3/c1-3(8)7-2-4(6)10-5(7)9/h4H,2H2,1H3/t4-/m0/s1
InChIKeyONVLCLQGPNDMIJ-BYPYZUCNSA-N
XLogP0.55
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.56
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (5R)-3-acetyl-5-chloro-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-acetyl-5-chloro-1,3-oxazolidin-2-one (CID 129365934) is (5R)-3-acetyl-5-chloro-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-acetyl-5-chloro-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-acetyl-5-chloro-1,3-oxazolidin-2-one is CC(=O)N1C[C@@H](Cl)OC1=O.
What is the InChIKey of (5R)-3-acetyl-5-chloro-1,3-oxazolidin-2-one?
The InChIKey is ONVLCLQGPNDMIJ-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H6ClNO3/c1-3(8)7-2-4(6)10-5(7)9/h4H,2H2,1H3/t4-/m0/s1.
What are the key properties of (5R)-3-acetyl-5-chloro-1,3-oxazolidin-2-one?
(5R)-3-acetyl-5-chloro-1,3-oxazolidin-2-one has a molecular weight of 163.56 g/mol, XLogP of 0.55, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-acetyl-5-chloro-1,3-oxazolidin-2-one is sourced from PubChem (CID 129365934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).