IUPAC name
5-(3,5-dimethylphenoxymethyl)-1,3-oxazolidin-2-one
SMILES
CC1=CC(OCC2CNC(=O)O2)=CC(C)=C1
Compound class
Neuromuscular Agents;
Therapeutic area
For the treatment of painful peripheral musculoskeletal conditions and spasticity from upper motor neuron syndromes.
Common name
Metaxalone
IUPAC name
5-(3,5-dimethylphenoxymethyl)-1,3-oxazolidin-2-one
SMILES
CC1=CC(OCC2CNC(=O)O2)=CC(C)=C1
INCHI
InChI=1S/C12H15NO3/c1-8-3-9(2)5-10(4-8)15-7-11-6-13-12(14)16-11/h3-5,11H,6-7H2,1-2H3,(H,13,14)
FORMULA
C12H15NO3
Common name
Metaxalone
IUPAC name
5-(3,5-dimethylphenoxymethyl)-1,3-oxazolidin-2-one
Molecular weight
221.252
clogP
2.350
clogS
-3.151
HBond Acceptor
3
HBond Donor
1
Total Polar Surface Area
47.56
Number of Rings
2
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00502 | m-xylene |
|
c1c(cccc1C)C | 0.0144 |
| FDBF00707 | oxazolidin-2-one |
|
O1CCNC1=O | 0.0024 |
| FDBF01341 | (5S)-5-methyloxazolidin-2-one |
|
CC1OC(=O)NC1 | 0.0014 |
| FDBF01509 | 3,5-dimethylphenol |
|
c1(cc(cc(c1)C)C)O | 0.0007 |
| FDBF01510 | 1-methoxy-3,5-dimethyl-benzene |
|
COc1cc(cc(c1)C)C | 0.0007 |
| FDBF01511 | (5R)-5-(hydroxymethyl)oxazolidin-2-one |
|
C(C1OC(=O)NC1)O | 0.0003 |
6 ,
1
