Common name
4,5-dimethyloxazole
IUPAC name
4,5-dimethyloxazole
SMILES
o1cnc(c1C)C
Common name
4,5-dimethyloxazole
IUPAC name
4,5-dimethyloxazole
SMILES
o1cnc(c1C)C
INCHI
InChI=1S/C5H7NO/c1-4-5(2)7-3-6-4/h3H,1-2H3
FORMULA
C5H7NO
Common name
4,5-dimethyloxazole
IUPAC name
4,5-dimethyloxazole
Molecular weight
97.115
clogP
1.742
clogS
-1.777
Frequency
0.0003
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
26.03
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01516 | Sulfamoxole |
|
Anti-Bacterial Agents; Anti-Infective Agents; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Sulfonamides and Trimethoprim; Intermediate-Acting Sulfonamides; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; | For the treatment of bacterial infection. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3ia6_ligand_1_6.mol2 | 3ia6 | 1 | -6.09 | c1(ncoc1C)C | 7 |
| 2q8s_ligand_1_6.mol2 | 2q8s | 1 | -6.08 | Cc1c(ocn1)C | 7 |
| 1fm9_ligand_1_7.mol2 | 1fm9 | 1 | -6.04 | Cc1ncoc1C | 7 |
| 3g9e_ligand_1_1.mol2 | 3g9e | 1 | -6.03 | Cc1ocnc1C | 7 |
| 3bc5_ligand_1_0.mol2 | 3bc5 | 1 | -6.02 | c1(c(nco1)C)C | 7 |
| 3g8i_ligand_1_1.mol2 | 3g8i | 1 | -6.00 | Cc1c(C)ocn1 | 7 |
| 2gtk_ligand_1_5.mol2 | 2gtk | 1 | -5.93 | c1(c(ocn1)C)C | 7 |
103 ,
11
