4-[(E)-C-morpholin-4-yl-N-phenylmethoxycarbonimidoyl]-1,2,5-oxadiazol-3-amine
Formula:C14H17N5O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(E)-C-morpholin-4-yl-N-phenylmethoxycarbonimidoyl]-1,2,5-oxadiazol-3-amine is a drug-like molecule.
| MolName | 4-[(E)-C-morpholin-4-yl-N-phenylmethoxycarbonimidoyl]-1,2,5-oxadiazol-3-amine |
| MolecularFormula | C14H17N5O3 |
| Smiles | Nc1nonc1/C(/N1CCOCC1)=N\OCc1ccccc1 |
| InChI | InChI=1S/C14H17N5O3/c15-13-12(16-22-17-13)14(19-6-8-20-9-7-19)18-21-10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,15,17) |
| InChIK | SGWFJUZGGXFTGC-UHFFFAOYSA-N |
| TotalMolweight | 303.321 |
| Molweight | 303.321 |
| MonoisotopicMass | 303.13314 |
| CLogP | 1.8161 |
| CLogS | -1.896 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 237.32 |
| Relative PSA | 0.36398 |
| PolarSurfaceArea | 99 |
| Druglikeness | 2.9538 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 4-[(E)-C-morpholin-4-yl-N-phenylmethoxycarbonimidoyl]-1,2,5-oxadiazol-3-amine | 2 - 4-[(E)-C-morpholin-4-yl-N-phenylmethoxycarbonimidoyl]-1,2,5-oxadiazol-3-amine
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