Common name
5-phenyloxazole
IUPAC name
5-phenyloxazole
SMILES
c1(ccccc1)c2ocnc2
Common name
5-phenyloxazole
IUPAC name
5-phenyloxazole
SMILES
c1(ccccc1)c2ocnc2
INCHI
InChI=1S/C9H7NO/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H
FORMULA
C9H7NO
Common name
5-phenyloxazole
IUPAC name
5-phenyloxazole
Molecular weight
145.158
clogP
2.516
clogS
-2.673
Frequency
0.0007
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
26.03
Number of Rings
2
Rotatable Bond
1
| 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 |
|---|---|---|---|---|---|
| 2yb9_ligand_1_8.mol2 | 2yb9 | 1 | -7.04 | c1ccccc1c1cnco1 | 11 |
| 1y6b_ligand_1_6.mol2 | 1y6b | 1 | -7.02 | c1oc(cn1)c1ccccc1 | 11 |
| 1y6a_ligand_1_5.mol2 | 1y6a | 1 | -6.97 | c1ncc(o1)c1ccccc1 | 11 |
| 4bks_ligand_1_3.mol2 | 4bks | 1 | -6.62 | c1ccc(cc1)c1ocnc1 | 11 |
| 4w9c_ligand_1_5.mol2 | 4w9c | 1 | -6.57 | c1(ocnc1)c1ccccc1 | 11 |
| 4cby_ligand_1_3.mol2 | 4cby | 1 | -6.41 | c1(ocnc1)c1ccccc1 | 11 |
| 4bks_ligand_2_5.mol2 | 4bks | 0.963636 | -6.77 | Cc1ccc(cc1)c1ocnc1 | 12 |
| 4w9c_ligand_2_14.mol2 | 4w9c | 0.963636 | -6.72 | c1(ocnc1)c1ccc(cc1)C | 12 |
100 ,
11
