N'-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]-4-(trifluoromethyl)benzenecarboximidamide
Formula:C15H11N4O2F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]-4-(trifluoromethyl)benzenecarboximidamide is a drug-like molecule.
| MolName | N'-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]-4-(trifluoromethyl)benzenecarboximidamide |
| MolecularFormula | C15H11N4O2F3S |
| Smiles | N/C(/c1ccc(C(F)(F)F)cc1)=N/OCc1noc(-c2cscc2)n1 |
| InChI | InChI=1S/C15H11F3N4O2S/c16-15(17,18)11-3-1-9(2-4-11)13(19)22-23-7-12-20-14(24-21-12)10-5-6-25-8-10/h1-6,8H,7H2,(H2,19,22) |
| InChIK | OAEDZFKIVXSWLC-UHFFFAOYSA-N |
| TotalMolweight | 368.338 |
| Molweight | 368.338 |
| MonoisotopicMass | 368.05548 |
| CLogP | 3.4415 |
| CLogS | -4.988 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 260.64 |
| Relative PSA | 0.35754 |
| PolarSurfaceArea | 114.77 |
| Druglikeness | -4.9919 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N'-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]-4-(trifluoromethyl)benzenecarboximidamide | 2 - N'-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]-4-(trifluoromethyl)benzenecarboximidamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off