N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-1,3-benzoxazol-2-amine
Formula:C23H17N5O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-1,3-benzoxazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-1,3-benzoxazol-2-amine |
| MolecularFormula | C23H17N5O |
| Smiles | C(c1cn(-c2ccccc2)nc1-c1ccccc1)=N\Nc1nc(cccc2)c2o1 |
| InChI | InChI=1S/C23H17N5O/c1-3-9-17(10-4-1)22-18(16-28(27-22)19-11-5-2-6-12-19)15-24-26-23-25-20-13-7-8-14-21(20)29-23/h1-16H,(H,25,26) |
| InChIK | CFTNIWJCDYLYLQ-UHFFFAOYSA-N |
| TotalMolweight | 379.422 |
| Molweight | 379.422 |
| MonoisotopicMass | 379.14331 |
| CLogP | 6.1412 |
| CLogS | -5.778 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 299.77 |
| Relative PSA | 0.2198 |
| PolarSurfaceArea | 68.24 |
| Druglikeness | 3.8703 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-1,3-benzoxazol-2-amine | 2 - N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-1,3-benzoxazol-2-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off