5-morpholin-4-yl-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile
Formula:C16H15N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-morpholin-4-yl-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile is a drug-like molecule.
| MolName | 5-morpholin-4-yl-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile |
| MolecularFormula | C16H15N3O2 |
| Smiles | N#Cc1c(N2CCOCC2)oc(/C=C/c2ccccc2)n1 |
| InChI | InChI=1S/C16H15N3O2/c17-12-14-16(19-8-10-20-11-9-19)21-15(18-14)7-6-13-4-2-1-3-5-13/h1-7H,8-11H2 |
| InChIK | ZJOADEDSOMENEG-UHFFFAOYSA-N |
| TotalMolweight | 281.314 |
| Molweight | 281.314 |
| MonoisotopicMass | 281.116427 |
| CLogP | 2.2385 |
| CLogS | -3.91 |
| H Acceptors | 5 |
| TotalSurfaceArea | 231.52 |
| Relative PSA | 0.22542 |
| PolarSurfaceArea | 62.29 |
| Druglikeness | -3.8031 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 5-morpholin-4-yl-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile | 2 - 5-morpholin-4-yl-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off