N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-1,3-benzoxazol-2-amine
Formula:C16H16N4O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-1,3-benzoxazol-2-amine is a drug-like molecule.
| MolName | N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-1,3-benzoxazol-2-amine |
| MolecularFormula | C16H16N4O2S |
| Smiles | C(COCC1)N1c1ccc(/C=N\Nc2nc(cccc3)c3o2)s1 |
| InChI | InChI=1S/C16H16N4O2S/c1-2-4-14-13(3-1)18-16(22-14)19-17-11-12-5-6-15(23-12)20-7-9-21-10-8-20/h1-6,11H,7-10H2,(H,18,19) |
| InChIK | IIWLJPLYARDFRS-UHFFFAOYSA-N |
| TotalMolweight | 328.395 |
| Molweight | 328.395 |
| MonoisotopicMass | 328.099396 |
| CLogP | 4.9474 |
| CLogS | -4.528 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 250.07 |
| Relative PSA | 0.32775 |
| PolarSurfaceArea | 91.13 |
| Druglikeness | 4.6206 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-1,3-benzoxazol-2-amine | 2 - N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-1,3-benzoxazol-2-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off