Common name
3-(methylamino)oxazolidin-2-one
IUPAC name
3-(methylamino)oxazolidin-2-one
SMILES
O1CCN(C1=O)NC
Common name
3-(methylamino)oxazolidin-2-one
IUPAC name
3-(methylamino)oxazolidin-2-one
SMILES
O1CCN(C1=O)NC
INCHI
InChI=1S/C4H8N2O2/c1-5-6-2-3-8-4(6)7/h5H,2-3H2,1H3
FORMULA
C4H8N2O2
Common name
3-(methylamino)oxazolidin-2-one
IUPAC name
3-(methylamino)oxazolidin-2-one
Molecular weight
116.119
clogP
-0.420
clogS
-0.060
Frequency
0.0003
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
41.57
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00479 | Furazolidone |
|
Anti-Infective Agents, Local; Anti-Infective Agents, Urinary; Antitrichomonal Agents; Monoamine Oxidase Inhibitors; Genito Urinary System and Sex Hormones; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Gynecological Antiinfectives and Antiseptics; Nitrofuran Derivatives; | For the specific and symptomatic treatment of bacterial or protozoal diarrhea and enteritis caused by susceptible organisms. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2q55_ligand_frag_1.mol2 | 2q55 | 0.608696 | -5.44 | C1OC(=O)NC1 | 6 |
| 2i0a_ligand_frag_2.mol2 | 2i0a | 0.608696 | -5.33 | N1C(=O)OCC1 | 6 |
| 3mxe_ligand_frag_9.mol2 | 3mxe | 0.608696 | -5.30 | N1CCOC1=O | 6 |
| 3gi4_ligand_frag_10.mol2 | 3gi4 | 0.608696 | -5.29 | C1OC(=O)NC1 | 6 |
| 3gi5_ligand_frag_2.mol2 | 3gi5 | 0.608696 | -5.29 | N1C(=O)OCC1 | 6 |
| 3gi6_ligand_frag_11.mol2 | 3gi6 | 0.608696 | -5.28 | C1OC(=O)NC1 | 6 |
| 4k4f_ligand_frag_1.mol2 | 4k4f | 0.538462 | -6.42 | C1C(OC(=O)N1)(C)C | 8 |
| 4n4v_ligand_frag_1.mol2 | 4n4v | 0.538462 | -6.32 | C1C(OC(=O)N1)(C)C | 8 |
| 4n4t_ligand_frag_1.mol2 | 4n4t | 0.538462 | -6.27 | C1C(OC(=O)N1)(C)C | 8 |
101 ,
11
