Common name
N-(3-ethyl-1,2-oxazol-5-yl)benzamide
IUPAC name
N-(3-ethyl-1,2-oxazol-5-yl)benzamide
SMILES
c1(noc(c1)NC(=O)c1ccccc1)CC
Common name
N-(3-ethyl-1,2-oxazol-5-yl)benzamide
IUPAC name
N-(3-ethyl-1,2-oxazol-5-yl)benzamide
SMILES
c1(noc(c1)NC(=O)c1ccccc1)CC
INCHI
InChI=1S/C12H12N2O2/c1-2-10-8-11(16-14-10)13-12(15)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,13,15)
FORMULA
C12H12N2O2
Common name
N-(3-ethyl-1,2-oxazol-5-yl)benzamide
IUPAC name
N-(3-ethyl-1,2-oxazol-5-yl)benzamide
Molecular weight
216.236
clogP
2.294
clogS
-3.647
Frequency
0.0003
HBond Acceptor
3
HBond Donor
1
Total PolarSurface Area
55.13
Number of Rings
2
Rotatable Bond
3
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3mvm_ligand_1_4.mol2 | 3mvm | 0.504274 | -8.48 | C(=O)(Nc1nocc1)c1ccc(cc1)C | 15 |
| 4w4v_ligand_2_5.mol2 | 4w4v | 0.459459 | -7.44 | c1cccc(c1)C(=O)Nc1ccnc(c1)C | 16 |
| 4w4x_ligand_2_0.mol2 | 4w4x | 0.459459 | -7.34 | N(C(=O)c1ccccc1)c1cc(ncc1)C | 16 |
| 4w4y_ligand_2_5.mol2 | 4w4y | 0.459459 | -7.33 | c1cccc(c1)C(=O)Nc1ccnc(c1)C | 16 |
| 4w4w_ligand_2_3.mol2 | 4w4w | 0.459459 | -7.21 | c1c(cccc1)C(=O)Nc1ccnc(c1)C | 16 |
| 4v05_ligand_3_31.mol2 | 4v05 | 0.457364 | -7.81 | O=C(Nc1[nH+][nH]c(c1)CC)c1ccccc1 | 16 |
| 4rwj_ligand_3_31.mol2 | 4rwj | 0.457364 | -7.76 | C(C)c1[nH][nH+]c(NC(=O)c2ccccc2)c1 | 16 |
| 4rwk_ligand_3_31.mol2 | 4rwk | 0.457364 | -7.60 | c1ccc(cc1)C(=O)Nc1[nH+][nH]c(CC)c1 | 16 |
100 ,
11
