(2E)-5-(morpholin-4-ylmethyl)-N-phenyl-2-(phenylcarbamoylimino)-1,3-oxazolidine-3-carboxamide
Formula:C22H25N5O4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(2E)-5-(morpholin-4-ylmethyl)-N-phenyl-2-(phenylcarbamoylimino)-1,3-oxazolidine-3-carboxamide is a drug-like molecule.
| MolName | (2E)-5-(morpholin-4-ylmethyl)-N-phenyl-2-(phenylcarbamoylimino)-1,3-oxazolidine-3-carboxamide |
| MolecularFormula | C22H25N5O4 |
| Smiles | O=C(Nc1ccccc1)N(CC(CN1CCOCC1)O1)/C1=N\C(Nc1ccccc1)=O |
| InChI | InChI=1S/C22H25N5O4/c28-20(23-17-7-3-1-4-8-17)25-22-27(21(29)24-18-9-5-2-6-10-18)16-19(31-22)15-26-11-13-30-14-12-26/h1-10,19H,11-16H2,(H,23,28)(H,24,29)/t19-/m1/s1 |
| InChIK | JEIGRPZHZAVGHD-LJQANCHMSA-N |
| TotalMolweight | 423.472 |
| Molweight | 423.472 |
| MonoisotopicMass | 423.190655 |
| CLogP | 2.5493 |
| CLogS | -4.11 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 323.07 |
| Relative PSA | 0.27118 |
| PolarSurfaceArea | 95.5 |
| Druglikeness | 3.4852 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 6 |
| Amides | 3 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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