Common name
3H-1,3-oxazol-2-one
IUPAC name
3H-1,3-oxazol-2-one
SMILES
[nH]1c(=O)occ1
Common name
3H-1,3-oxazol-2-one
IUPAC name
3H-1,3-oxazol-2-one
SMILES
[nH]1c(=O)occ1
INCHI
InChI=1S/C3H3NO2/c5-3-4-1-2-6-3/h1-2H,(H,4,5)
FORMULA
C3H3NO2
Common name
3H-1,3-oxazol-2-one
IUPAC name
3H-1,3-oxazol-2-one
Molecular weight
85.061
clogP
1.287
clogS
-0.735
Frequency
0.0003
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
46
Number of Rings
1
Rotatable Bond
0
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5cy3_ligand_frag_1.mol2 | 5cy3 | 0.359375 | -5.68 | N1=CCOC1=O | 6 |
| 2qg2_ligand_frag_0.mol2 | 2qg2 | 0.359375 | -5.57 | C1C=NC(=O)O1 | 6 |
| 1yt7_ligand_frag_12.mol2 | 1yt7 | 0.359375 | -5.45 | N1=CCOC1=O | 6 |
| 3dxj_ligand_1_3.mol2 | 3dxj | 0.352941 | -6.22 | C/C=C/NC(=O)OC | 8 |
| 2q55_ligand_frag_1.mol2 | 2q55 | 0.339623 | -5.44 | C1OC(=O)NC1 | 6 |
| 2i0a_ligand_frag_2.mol2 | 2i0a | 0.339623 | -5.33 | N1C(=O)OCC1 | 6 |
| 3mxe_ligand_frag_9.mol2 | 3mxe | 0.339623 | -5.30 | N1CCOC1=O | 6 |
| 3gi4_ligand_frag_10.mol2 | 3gi4 | 0.339623 | -5.29 | C1OC(=O)NC1 | 6 |
| 3gi5_ligand_frag_2.mol2 | 3gi5 | 0.339623 | -5.29 | N1C(=O)OCC1 | 6 |
| 3gi6_ligand_frag_11.mol2 | 3gi6 | 0.339623 | -5.28 | C1OC(=O)NC1 | 6 |
146 ,
15
