Common name
imidazol-1-yl-[(2R)-2,4,4-trimethyl-1,3-oxazolidin-3-yl]methanone
IUPAC name
imidazol-1-yl-[(2R)-2,4,4-trimethyl-1,3-oxazolidin-3-yl]methanone
SMILES
CC1(N([C@H](OC1)C)C(=O)N1C=NC=C1)C
Common name
imidazol-1-yl-[(2R)-2,4,4-trimethyl-1,3-oxazolidin-3-yl]methanone
IUPAC name
imidazol-1-yl-[(2R)-2,4,4-trimethyl-1,3-oxazolidin-3-yl]methanone
SMILES
CC1(N([C@H](OC1)C)C(=O)N1C=NC=C1)C
INCHI
InChI=1S/C10H15N3O2/c1-8-13(10(2,3)6-15-8)9(14)12-5-4-11-7-12/h4-5,7-8H,6H2,1-3H3/p+1/t8-/m1/s1
FORMULA
C10H15N3O2
Common name
imidazol-1-yl-[(2R)-2,4,4-trimethyl-1,3-oxazolidin-3-yl]methanone
IUPAC name
imidazol-1-yl-[(2R)-2,4,4-trimethyl-1,3-oxazolidin-3-yl]methanone
Molecular weight
209.245
clogP
0.101
clogS
-0.738
Frequency
0.0003
HBond Acceptor
3
HBond Donor
0
Total PolarSurface Area
47.36
Number of Rings
2
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD03045 | oxpoconazole |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1kti_ligand.mol2 | 1kti | 0.393701 | -7.83 | [C@@H]1([C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO)NC(=O)NC(=O)C | 19 |
| 1k06_ligand.mol2 | 1k06 | 0.393103 | -8.34 | O1[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)NC(=O)NC(=O)c1ccccc1 | 24 |
| 1k08_ligand.mol2 | 1k08 | 0.393103 | -8.32 | O1[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)NC(=O)NC(=O)c1ccccc1 | 24 |
| 2prj_ligand.mol2 | 2prj | 0.383333 | -7.51 | [C@@H]1([C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)NC(=O)C | 16 |
| 5d9p_ligand.mol2 | 5d9p | 0.383333 | -6.88 | [C@@H]1([C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)NC(=O)C | 16 |
109 ,
11
