Common name
2-methyl-4-phenyl-oxazole
IUPAC name
2-methyl-4-phenyl-oxazole
SMILES
c1(ccccc1)c2coc(n2)C
Common name
2-methyl-4-phenyl-oxazole
IUPAC name
2-methyl-4-phenyl-oxazole
SMILES
c1(ccccc1)c2coc(n2)C
INCHI
InChI=1S/C10H9NO/c1-8-11-10(7-12-8)9-5-3-2-4-6-9/h2-7H,1H3
FORMULA
C10H9NO
Common name
2-methyl-4-phenyl-oxazole
IUPAC name
2-methyl-4-phenyl-oxazole
Molecular weight
159.185
clogP
2.934
clogS
-3.222
Frequency
0.0003
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. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3c5u_ligand_1_3.mol2 | 3c5u | 0.671233 | -6.44 | c1c(nco1)c1c(cccc1)F | 12 |
| 2wj1_ligand_1_8.mol2 | 2wj1 | 0.55814 | -6.82 | c1nc(co1)c1ccccn1 | 11 |
| 4zip_ligand_1_13.mol2 | 4zip | 0.5 | -5.69 | c1(nc(oc1C)C)C | 8 |
| 4w9d_ligand_1_5.mol2 | 4w9d | 0.487805 | -6.85 | c1ccc(cc1)c1ocnc1C | 12 |
| 2yb9_ligand_2_34.mol2 | 2yb9 | 0.481928 | -7.40 | Cc1ncc(c2ccccc2)o1 | 12 |
| 3g8i_ligand_1_0.mol2 | 3g8i | 0.481481 | -7.39 | c1(ccccc1)c1oc(C)cn1 | 12 |
| 1kkq_ligand_1_9.mol2 | 1kkq | 0.481481 | -7.28 | o1c(ncc1C)c1ccccc1 | 12 |
| 3bc5_ligand_1_6.mol2 | 3bc5 | 0.481481 | -7.26 | c1(cnc(o1)c1ccccc1)C | 12 |
109 ,
11
