2-[(E)-2-(4-aminophenyl)ethenyl]-1,3-benzoxazol-5-amine
Formula:C15H13N3O
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
2-[(E)-2-(4-aminophenyl)ethenyl]-1,3-benzoxazol-5-amine is a drug-like molecule.
| MolName | 2-[(E)-2-(4-aminophenyl)ethenyl]-1,3-benzoxazol-5-amine |
| MolecularFormula | C15H13N3O |
| Smiles | Nc1ccc(/C=C/c2nc(cc(cc3)N)c3o2)cc1 |
| InChI | InChI=1S/C15H13N3O/c16-11-4-1-10(2-5-11)3-8-15-18-13-9-12(17)6-7-14(13)19-15/h1-9H,16-17H2 |
| InChIK | AVDMQCIRZQKWFQ-UHFFFAOYSA-N |
| TotalMolweight | 251.288 |
| Molweight | 251.288 |
| MonoisotopicMass | 251.105862 |
| CLogP | 2.4133 |
| CLogS | -4.033 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 199.61 |
| Relative PSA | 0.27864 |
| PolarSurfaceArea | 78.07 |
| Druglikeness | -0.55036 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| Amines | 2 |
| Aromatic Amines | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(E)-2-(4-aminophenyl)ethenyl]-1,3-benzoxazol-5-amine | 2 - 2-[(E)-2-(4-aminophenyl)ethenyl]-1,3-benzoxazol-5-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off