Common name
oxazole
IUPAC name
oxazole
SMILES
o1ccnc1
Common name
oxazole
IUPAC name
oxazole
SMILES
o1ccnc1
INCHI
InChI=1S/C3H3NO/c1-2-5-3-4-1/h1-3H
FORMULA
C3H3NO
Common name
oxazole
IUPAC name
oxazole
Molecular weight
69.062
clogP
1.233
clogS
-0.637
Frequency
0.0007
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 |
|---|---|---|---|---|
| FDBD00845 | Oxaprozin |
|
Anti-Inflammatory Agents, Non-Steroidal; Musculo-Skeletal System; Antiinflammatory and Antirheumatic Products, Non-Steroids; Antiinflammatory and Antirheumatic Products; Propionic Acid Derivatives; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; | Used to relieve the inflammation, swelling, stiffness, and joint pain associated with rheumatoid arthritis and osteoarthritis. |
| FDBD01614 | Ditazole |
|
Antithrombotic Agents; Blood and Blood Forming Organs; Platelet Aggregation Inhibitors Excl. Heparin; |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1y6a_ligand_frag_5.mol2 | 1y6a | 1 | -5.50 | c1ncco1 | 5 |
| 1y6b_ligand_frag_6.mol2 | 1y6b | 1 | -5.50 | c1occn1 | 5 |
| 2wj1_ligand_frag_8.mol2 | 2wj1 | 1 | -5.50 | c1ncco1 | 5 |
| 2wj2_ligand_frag_1.mol2 | 2wj2 | 1 | -5.49 | c1occn1 | 5 |
| 4j5p_ligand_frag_1.mol2 | 4j5p | 1 | -5.46 | c1ocnc1 | 5 |
| 1ke7_ligand_frag_1.mol2 | 1ke7 | 1 | -5.42 | c1cnco1 | 5 |
100 ,
11
