Common name
2-methyloxazole
IUPAC name
2-methyloxazole
SMILES
Cc1occn1
Common name
2-methyloxazole
IUPAC name
2-methyloxazole
SMILES
Cc1occn1
INCHI
InChI=1S/C4H5NO/c1-4-5-2-3-6-4/h2-3H,1H3
FORMULA
C4H5NO
Common name
2-methyloxazole
IUPAC name
2-methyloxazole
Molecular weight
83.089
clogP
1.428
clogS
-1.210
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 |
|---|---|---|---|---|
| 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 |
|---|---|---|---|---|---|
| 2yb9_ligand_1_6.mol2 | 2yb9 | 1 | -5.78 | Cc1ncco1 | 6 |
| 5d1j_ligand_1_1.mol2 | 5d1j | 1 | -5.76 | c1(occn1)C | 6 |
| 4lyn_ligand_1_2.mol2 | 4lyn | 1 | -5.72 | c1cnc(o1)C | 6 |
| 4zip_ligand_frag_14.mol2 | 4zip | 0.8125 | -5.53 | c1nc(oc1C)C | 7 |
| 2wj1_ligand_1_7.mol2 | 2wj1 | 0.722222 | -5.65 | C(O)c1ncco1 | 7 |
| 2wj2_ligand_1_0.mol2 | 2wj2 | 0.722222 | -5.65 | c1(occn1)CO | 7 |
| 4j5p_ligand_1_1.mol2 | 4j5p | 0.722222 | -5.58 | c1oc(nc1)CO | 7 |
107 ,
11
