(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-pyridin-3-yl-1,3-oxazol-5-one
Formula:C16H10N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-pyridin-3-yl-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-pyridin-3-yl-1,3-oxazol-5-one |
| MolecularFormula | C16H10N2O4 |
| Smiles | O=C1OC(c2cnccc2)=N/C1=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C16H10N2O4/c19-16-12(18-15(22-16)11-2-1-5-17-8-11)6-10-3-4-13-14(7-10)21-9-20-13/h1-8H,9H2 |
| InChIK | FIYGUZWNPSYILQ-UHFFFAOYSA-N |
| TotalMolweight | 294.265 |
| Molweight | 294.265 |
| MonoisotopicMass | 294.064058 |
| CLogP | 1.7023 |
| CLogS | -3.835 |
| H Acceptors | 6 |
| TotalSurfaceArea | 213.97 |
| Relative PSA | 0.30621 |
| PolarSurfaceArea | 70.01 |
| Druglikeness | 0.83872 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-pyridin-3-yl-1,3-oxazol-5-one | 2 - (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-pyridin-3-yl-1,3-oxazol-5-one
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