2-[(E)-2-phenylethenyl]-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile
Formula:C16H15N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-phenylethenyl]-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile is a drug-like molecule.
| MolName | 2-[(E)-2-phenylethenyl]-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile |
| MolecularFormula | C16H15N3O |
| Smiles | N#Cc1c(N2CCCC2)oc(/C=C/c2ccccc2)n1 |
| InChI | InChI=1S/C16H15N3O/c17-12-14-16(19-10-4-5-11-19)20-15(18-14)9-8-13-6-2-1-3-7-13/h1-3,6-9H,4-5,10-11H2 |
| InChIK | SBCBRXPGHXYONV-UHFFFAOYSA-N |
| TotalMolweight | 265.315 |
| Molweight | 265.315 |
| MonoisotopicMass | 265.121512 |
| CLogP | 3.0605 |
| CLogS | -4.529 |
| H Acceptors | 4 |
| TotalSurfaceArea | 221.52 |
| Relative PSA | 0.19046 |
| PolarSurfaceArea | 53.06 |
| Druglikeness | -3.1897 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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