Common name
4-phenyloxazole
IUPAC name
4-phenyloxazole
SMILES
c1(ccccc1)c2cocn2
Common name
4-phenyloxazole
IUPAC name
4-phenyloxazole
SMILES
c1(ccccc1)c2cocn2
INCHI
InChI=1S/C9H7NO/c1-2-4-8(5-3-1)9-6-11-7-10-9/h1-7H
FORMULA
C9H7NO
Common name
4-phenyloxazole
IUPAC name
4-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 |
|---|---|---|---|---|---|
| 3c5u_ligand_1_3.mol2 | 3c5u | 0.790323 | -6.44 | c1c(nco1)c1c(cccc1)F | 12 |
| 2wj1_ligand_1_8.mol2 | 2wj1 | 0.597403 | -6.82 | c1nc(co1)c1ccccn1 | 11 |
| 4w9d_ligand_1_5.mol2 | 4w9d | 0.520548 | -6.85 | c1ccc(cc1)c1ocnc1C | 12 |
| 4w9d_ligand_frag_6.mol2 | 4w9d | 0.510204 | -5.62 | c1ocnc1C | 6 |
| 2yb9_ligand_1_8.mol2 | 2yb9 | 0.457143 | -7.04 | c1ccccc1c1cnco1 | 11 |
| 1y6b_ligand_1_6.mol2 | 1y6b | 0.457143 | -7.02 | c1oc(cn1)c1ccccc1 | 11 |
| 1y6a_ligand_1_5.mol2 | 1y6a | 0.457143 | -6.97 | c1ncc(o1)c1ccccc1 | 11 |
| 4bks_ligand_1_3.mol2 | 4bks | 0.457143 | -6.62 | c1ccc(cc1)c1ocnc1 | 11 |
114 ,
12
