Common name
1,2-oxazol-4-yl(phenyl)methanone
IUPAC name
1,2-oxazol-4-yl(phenyl)methanone
SMILES
c1c(cccc1)C(=O)c1conc1
Common name
1,2-oxazol-4-yl(phenyl)methanone
IUPAC name
1,2-oxazol-4-yl(phenyl)methanone
SMILES
c1c(cccc1)C(=O)c1conc1
INCHI
InChI=1S/C10H7NO2/c12-10(9-6-11-13-7-9)8-4-2-1-3-5-8/h1-7H
FORMULA
C10H7NO2
Common name
1,2-oxazol-4-yl(phenyl)methanone
IUPAC name
1,2-oxazol-4-yl(phenyl)methanone
Molecular weight
173.168
clogP
2.296
clogS
-2.640
Frequency
0.0003
HBond Acceptor
3
HBond Donor
0
Total PolarSurface Area
43.1
Number of Rings
2
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02511 | isoxaflutole |
|
Herbicide | Herbicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4q9o_ligand_2_0.mol2 | 4q9o | 0.45614 | -8.80 | c1(ccc(cc1)NC(=O)c1c(onc1)C)C(C)C | 18 |
| 4q9m_ligand_2_0.mol2 | 4q9m | 0.45614 | -8.77 | N(C(=O)c1c(onc1)C)c1ccc(cc1)C(C)C | 18 |
| 3fxv_ligand_1_1.mol2 | 3fxv | 0.411765 | -5.73 | c1(cnoc1)C | 6 |
| 3dct_ligand_1_2.mol2 | 3dct | 0.411765 | -5.67 | c1nocc1C | 6 |
| 1n0t_ligand_1_2.mol2 | 1n0t | 0.411765 | -5.48 | Cc1cnoc1 | 6 |
| 1vso_ligand_1_1.mol2 | 1vso | 0.411765 | -5.44 | o1ncc(c1)C | 6 |
| 1fsy_ligand_1_1.mol2 | 1fsy | 0.410526 | -6.00 | CNC(=O)c1c(onc1)C | 10 |
| 1nyy_ligand_1_1.mol2 | 1nyy | 0.410526 | -5.79 | N(C(=O)c1c(onc1)C)C | 10 |
| 2yjw_ligand_1_1.mol2 | 2yjw | 0.397849 | -6.84 | c1(ccccc1)c1cnoc1C | 12 |
113 ,
12
