N-[4-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide
Formula:C21H15N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[4-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide is a drug-like molecule.
| MolName | N-[4-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide |
| MolecularFormula | C21H15N3O3 |
| Smiles | O=C(c1ccco1)Nc(cc1)ccc1-c1noc(/C=C/c2ccccc2)n1 |
| InChI | InChI=1S/C21H15N3O3/c25-21(18-7-4-14-26-18)22-17-11-9-16(10-12-17)20-23-19(27-24-20)13-8-15-5-2-1-3-6-15/h1-14H,(H,22,25) |
| InChIK | PTWXCJASMKCMCG-UHFFFAOYSA-N |
| TotalMolweight | 357.368 |
| Molweight | 357.368 |
| MonoisotopicMass | 357.111342 |
| CLogP | 4.0219 |
| CLogS | -5.849 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 285.15 |
| Relative PSA | 0.26183 |
| PolarSurfaceArea | 81.16 |
| Druglikeness | 2.7536 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[4-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide | 2 - N-[4-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide
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