(4Z)-4-[(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
Formula:C21H19N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-4-[(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)methylidene]-2-phenyl-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4Z)-4-[(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)methylidene]-2-phenyl-1,3-oxazol-5-one |
| MolecularFormula | C21H19N3O3 |
| Smiles | O=C1OC(c2ccccc2)=N/C1=C\N(CC(C1)CN23)CC1C3=CC=CC2=O |
| InChI | InChI=1S/C21H19N3O3/c25-19-8-4-7-18-16-9-14(11-24(18)19)10-23(12-16)13-17-21(26)27-20(22-17)15-5-2-1-3-6-15/h1-8,13-14,16H,9-12H2 |
| InChIK | MGDDTRYQTPTYLL-UHFFFAOYSA-N |
| TotalMolweight | 361.4 |
| Molweight | 361.4 |
| MonoisotopicMass | 361.142642 |
| CLogP | 1.0931 |
| CLogS | -3.131 |
| H Acceptors | 6 |
| TotalSurfaceArea | 264.29 |
| Relative PSA | 0.20693 |
| PolarSurfaceArea | 62.21 |
| Druglikeness | 3.5448 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - (4Z)-4-[(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)methylidene]-2-phenyl-1,3-oxazol-5-one | 2 - (4Z)-4-[(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
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