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

C6H10ClNO2 — CID 67918701

IUPAC(5S)-5-(2-chloroethyl)-3-methyl-1,3-oxazolidin-2-one
SMILESCN1C[C@H](CCCl)OC1=O
InChIInChI=1S/C6H10ClNO2/c1-8-4-5(2-3-7)10-6(8)9/h5H,2-4H2,1H3/t5-/m0/s1
InChIKeyLRNOHFSJYTYVGW-YFKPBYRVSA-N
MW163.60 g/mol
LogP1.07
Rot. Bonds2

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

(5S)-5-(2-chloroethyl)-3-methyl-1,3-oxazolidin-2-one (PubChem CID 67918701) has the molecular formula C6H10ClNO2 and a molecular weight of 163.60 g/mol. Its IUPAC name is (5S)-5-(2-chloroethyl)-3-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(2-chloroethyl)-3-methyl-1,3-oxazolidin-2-one
PubChem CID67918701
Molecular FormulaC6H10ClNO2
Molecular Weight163.60 g/mol
Exact Mass163.04
IUPAC Name(5S)-5-(2-chloroethyl)-3-methyl-1,3-oxazolidin-2-one
SMILESCN1C[C@H](CCCl)OC1=O
InChIInChI=1S/C6H10ClNO2/c1-8-4-5(2-3-7)10-6(8)9/h5H,2-4H2,1H3/t5-/m0/s1
InChIKeyLRNOHFSJYTYVGW-YFKPBYRVSA-N
XLogP1.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.60
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5S)-5-(2-chloroethyl)-3-methyl-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanenitrile
CID 91620718
5-(aminomethyl)-3-methyl-1,3-oxazolidin-2-one;hydrochloride
CID 71758299
trimethyl-[[(5S)-3-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl]azanium
CID 72545329
(5S)-3-methyl-5-(methylaminomethyl)-1,3-oxazolidin-2-one
CID 59010162
(5R)-3-methyl-5-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 118216515
(5R)-5-(3-iminobutyl)-3-methyl-1,3-oxazolidin-2-one
CID 158041557
but-2-yne;ethane;5-ethyl-3-methyl-1,3-oxazolidin-2-one
CID 159211254
(5S)-5-amino-3-methyl-1,3-oxazolidin-2-one
CID 154029551
(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl methanesulfonate
CID 20616677
[(5S)-3-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate
CID 59735300
N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]butane-1-sulfonamide
CID 110716966
5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-methyl-1,3-oxazolidin-2-one
CID 110685337

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(2-chloroethyl)-3-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-(2-chloroethyl)-3-methyl-1,3-oxazolidin-2-one (CID 67918701) is (5S)-5-(2-chloroethyl)-3-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-(2-chloroethyl)-3-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-(2-chloroethyl)-3-methyl-1,3-oxazolidin-2-one is CN1C[C@H](CCCl)OC1=O.
What is the InChIKey of (5S)-5-(2-chloroethyl)-3-methyl-1,3-oxazolidin-2-one?
The InChIKey is LRNOHFSJYTYVGW-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10ClNO2/c1-8-4-5(2-3-7)10-6(8)9/h5H,2-4H2,1H3/t5-/m0/s1.
What are the key properties of (5S)-5-(2-chloroethyl)-3-methyl-1,3-oxazolidin-2-one?
(5S)-5-(2-chloroethyl)-3-methyl-1,3-oxazolidin-2-one has a molecular weight of 163.60 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(2-chloroethyl)-3-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 67918701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).