Common name
3-(m-tolyl)oxazolidin-2-one
IUPAC name
3-(m-tolyl)oxazolidin-2-one
SMILES
O1CCN(C1=O)c2cc(ccc2)C
Common name
3-(m-tolyl)oxazolidin-2-one
IUPAC name
3-(m-tolyl)oxazolidin-2-one
SMILES
O1CCN(C1=O)c2cc(ccc2)C
INCHI
InChI=1S/C10H11NO2/c1-8-3-2-4-9(7-8)11-5-6-13-10(11)12/h2-4,7H,5-6H2,1H3
FORMULA
C10H11NO2
Common name
3-(m-tolyl)oxazolidin-2-one
IUPAC name
3-(m-tolyl)oxazolidin-2-one
Molecular weight
177.200
clogP
1.872
clogS
-1.972
Frequency
0.0003
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
29.54
Number of Rings
2
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01765 | Toloxatone |
|
Nervous System; Antidepressants; Psychoanaleptics; Monoamine Oxidase a Inhibitors; | For the treatment of depression. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3gi4_ligand_2_65.mol2 | 3gi4 | 0.894737 | -6.07 | c1(cccc(c1)C(F)(F)F)N1C(=O)OCC1 | 16 |
| 3gi6_ligand_2_77.mol2 | 3gi6 | 0.894737 | -6.06 | C(F)(F)(F)c1cccc(c1)N1C(=O)OCC1 | 16 |
| 3gi5_ligand_2_0.mol2 | 3gi5 | 0.839506 | -6.17 | O=C(C)c1cccc(c1)N1C(=O)OCC1 | 15 |
| 2q55_ligand_1_1.mol2 | 2q55 | 0.838235 | -6.55 | C1OC(=O)N(C1)c1ccccc1 | 12 |
| 2i0a_ligand_1_1.mol2 | 2i0a | 0.838235 | -5.92 | N1(C(=O)OCC1)c1ccccc1 | 12 |
| 3gi5_ligand_1_1.mol2 | 3gi5 | 0.838235 | -5.91 | c1cccc(c1)N1C(=O)OCC1 | 12 |
| 3mxe_ligand_1_9.mol2 | 3mxe | 0.838235 | -5.90 | N1(CCOC1=O)c1ccccc1 | 12 |
| 3gi4_ligand_1_10.mol2 | 3gi4 | 0.838235 | -5.87 | c1(ccccc1)N1C(=O)OCC1 | 12 |
| 3gi6_ligand_1_11.mol2 | 3gi6 | 0.838235 | -5.86 | c1(ccccc1)N1C(=O)OCC1 | 12 |
| 2i0a_ligand_2_0.mol2 | 2i0a | 0.775 | -6.12 | N1(C(=O)OCC1)c1ccc(C(=O)C)cc1 | 15 |
115 ,
12
