5-[(E)-2-phenylethenyl]-1,2-oxazole-3-carboxamide
Formula:C12H10N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-[(E)-2-phenylethenyl]-1,2-oxazole-3-carboxamide is a drug-like molecule.
| MolName | 5-[(E)-2-phenylethenyl]-1,2-oxazole-3-carboxamide |
| MolecularFormula | C12H10N2O2 |
| Smiles | NC(c1noc(/C=C/c2ccccc2)c1)=O |
| InChI | InChI=1S/C12H10N2O2/c13-12(15)11-8-10(16-14-11)7-6-9-4-2-1-3-5-9/h1-8H,(H2,13,15) |
| InChIK | KPGPHQFHMIITFB-UHFFFAOYSA-N |
| TotalMolweight | 214.223 |
| Molweight | 214.223 |
| MonoisotopicMass | 214.074228 |
| CLogP | 1.4722 |
| CLogS | -2.986 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 174.24 |
| Relative PSA | 0.30642 |
| PolarSurfaceArea | 69.12 |
| Druglikeness | 2.7664 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 5-[(E)-2-phenylethenyl]-1,2-oxazole-3-carboxamide | 2 - 5-[(E)-2-phenylethenyl]-1,2-oxazole-3-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off