1-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]pyrrolidine-2-carboxylic acid
Formula:C15H14N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]pyrrolidine-2-carboxylic acid is a drug-like molecule.
| MolName | 1-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]pyrrolidine-2-carboxylic acid |
| MolecularFormula | C15H14N2O4 |
| Smiles | OC(C(CCC1)N1/C=C1\N=C(c2ccccc2)OC1=O)=O |
| InChI | InChI=1S/C15H14N2O4/c18-14(19)12-7-4-8-17(12)9-11-15(20)21-13(16-11)10-5-2-1-3-6-10/h1-3,5-6,9,12H,4,7-8H2,(H,18,19)/t12-/m0/s1 |
| InChIK | LBZVFNAADRUKSN-LBPRGKRZSA-N |
| TotalMolweight | 286.286 |
| Molweight | 286.286 |
| MonoisotopicMass | 286.095358 |
| CLogP | 0.1597 |
| CLogS | -2.535 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 209.87 |
| Relative PSA | 0.30609 |
| PolarSurfaceArea | 79.2 |
| Druglikeness | 1.704 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
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1 - 1-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]pyrrolidine-2-carboxylic acid | 2 - 1-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]pyrrolidine-2-carboxylic acid
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