(5S)-5-(bromomethyl)-3-methyl-1,3-oxazolidin-2-one

C5H8BrNO2 — CID 96623439

IUPAC(5S)-5-(bromomethyl)-3-methyl-1,3-oxazolidin-2-one
SMILESCN1C[C@@H](CBr)OC1=O
InChIInChI=1S/C5H8BrNO2/c1-7-3-4(2-6)9-5(7)8/h4H,2-3H2,1H3/t4-/m1/s1
InChIKeyDQHCGRUPKXGSBU-SCSAIBSYSA-N
MW194.03 g/mol
LogP0.83
Rot. Bonds1

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

(5S)-5-(bromomethyl)-3-methyl-1,3-oxazolidin-2-one (PubChem CID 96623439) has the molecular formula C5H8BrNO2 and a molecular weight of 194.03 g/mol. Its IUPAC name is (5S)-5-(bromomethyl)-3-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(bromomethyl)-3-methyl-1,3-oxazolidin-2-one
PubChem CID96623439
Molecular FormulaC5H8BrNO2
Molecular Weight194.03 g/mol
Exact Mass192.97
IUPAC Name(5S)-5-(bromomethyl)-3-methyl-1,3-oxazolidin-2-one
SMILESCN1C[C@@H](CBr)OC1=O
InChIInChI=1S/C5H8BrNO2/c1-7-3-4(2-6)9-5(7)8/h4H,2-3H2,1H3/t4-/m1/s1
InChIKeyDQHCGRUPKXGSBU-SCSAIBSYSA-N
XLogP0.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.03
LogP ≤ 50.83
H-Bond Donors ≤ 50
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-(bromomethyl)-3-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-(bromomethyl)-3-methyl-1,3-oxazolidin-2-one (CID 96623439) is (5S)-5-(bromomethyl)-3-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-(bromomethyl)-3-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-(bromomethyl)-3-methyl-1,3-oxazolidin-2-one is CN1C[C@@H](CBr)OC1=O.
What is the InChIKey of (5S)-5-(bromomethyl)-3-methyl-1,3-oxazolidin-2-one?
The InChIKey is DQHCGRUPKXGSBU-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H8BrNO2/c1-7-3-4(2-6)9-5(7)8/h4H,2-3H2,1H3/t4-/m1/s1.
What are the key properties of (5S)-5-(bromomethyl)-3-methyl-1,3-oxazolidin-2-one?
(5S)-5-(bromomethyl)-3-methyl-1,3-oxazolidin-2-one has a molecular weight of 194.03 g/mol, XLogP of 0.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(bromomethyl)-3-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 96623439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).