General Information of the Compound
| Compound ID |
CP0501672
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(hydroxymethyl)-N-[(2S)-3-methylbutan-2-yl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H19F3N2O3
|
||||||||||||||||||
| Molecular Weight |
356.344
|
||||||||||||||||||
| Canonical SMILES |
CC(C)[C@H](C)NC(=O)c1noc(c1CO)-c1ccc(cc1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H19F3N2O3/c1-9(2)10(3)21-16(24)14-13(8-23)15(25-22-14)11-4-6-12(7-5-11)17(18,19)20/h4-7,9-10,23H,8H2,1-3H3,(H,21,24)/t10-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MFLRPZFFHCDZMB-JTQLQIEISA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound