(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl (E)-3-(4-nitrophenyl)prop-2-enoate
Formula:C19H16N2O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl (E)-3-(4-nitrophenyl)prop-2-enoate is a drug-like molecule.
| MolName | (3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl (E)-3-(4-nitrophenyl)prop-2-enoate |
| MolecularFormula | C19H16N2O5 |
| Smiles | [O-][N+](c1ccc(/C=C/C(OCC(C2)ON=C2c2ccccc2)=O)cc1)=O |
| InChI | InChI=1S/C19H16N2O5/c22-19(11-8-14-6-9-16(10-7-14)21(23)24)25-13-17-12-18(20-26-17)15-4-2-1-3-5-15/h1-11,17H,12-13H2/t17-/m1/s1 |
| InChIK | PNDLGKNFSAJKPH-QGZVFWFLSA-N |
| TotalMolweight | 352.345 |
| Molweight | 352.345 |
| MonoisotopicMass | 352.105923 |
| CLogP | 3.3437 |
| CLogS | -5.076 |
| H Acceptors | 7 |
| TotalSurfaceArea | 270.43 |
| Relative PSA | 0.27723 |
| PolarSurfaceArea | 93.71 |
| Druglikeness | -5.5541 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
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1 - (3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl (E)-3-(4-nitrophenyl)prop-2-enoate | 2 - (3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl (E)-3-(4-nitrophenyl)prop-2-enoate
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