2-[(E)-2-phenylethenyl]-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile
Formula:C20H17N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-phenylethenyl]-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile is a drug-like molecule.
| MolName | 2-[(E)-2-phenylethenyl]-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile |
| MolecularFormula | C20H17N3O |
| Smiles | N#Cc1c(NCCc2ccccc2)oc(/C=C/c2ccccc2)n1 |
| InChI | InChI=1S/C20H17N3O/c21-15-18-20(22-14-13-17-9-5-2-6-10-17)24-19(23-18)12-11-16-7-3-1-4-8-16/h1-12,22H,13-14H2 |
| InChIK | CYRXFUMXXVYCNR-UHFFFAOYSA-N |
| TotalMolweight | 315.375 |
| Molweight | 315.375 |
| MonoisotopicMass | 315.137162 |
| CLogP | 4.0647 |
| CLogS | -5.302 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 268.42 |
| Relative PSA | 0.18665 |
| PolarSurfaceArea | 61.85 |
| Druglikeness | -4.4722 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[(E)-2-phenylethenyl]-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile | 2 - 2-[(E)-2-phenylethenyl]-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile
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