N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]-1,3-benzoxazol-2-amine
Formula:C18H18N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]-1,3-benzoxazol-2-amine is a drug-like molecule.
| MolName | N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]-1,3-benzoxazol-2-amine |
| MolecularFormula | C18H18N4O2 |
| Smiles | C(COCC1)N1c1ccc(/C=N/Nc2nc(cccc3)c3o2)cc1 |
| InChI | InChI=1S/C18H18N4O2/c1-2-4-17-16(3-1)20-18(24-17)21-19-13-14-5-7-15(8-6-14)22-9-11-23-12-10-22/h1-8,13H,9-12H2,(H,20,21) |
| InChIK | PEVVRURTHGXQMJ-UHFFFAOYSA-N |
| TotalMolweight | 322.367 |
| Molweight | 322.367 |
| MonoisotopicMass | 322.142976 |
| CLogP | 4.8912 |
| CLogS | -4.368 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 254.13 |
| Relative PSA | 0.2424 |
| PolarSurfaceArea | 62.89 |
| Druglikeness | 3.3318 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]-1,3-benzoxazol-2-amine | 2 - N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]-1,3-benzoxazol-2-amine
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