N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
Formula:C22H19N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide is a drug-like molecule.
| MolName | N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide |
| MolecularFormula | C22H19N3O2 |
| Smiles | CC(C)c(cc1)cc2c1oc(-c1cccc(NC(c3cnccc3)=O)c1)n2 |
| InChI | InChI=1S/C22H19N3O2/c1-14(2)15-8-9-20-19(12-15)25-22(27-20)16-5-3-7-18(11-16)24-21(26)17-6-4-10-23-13-17/h3-14H,1-2H3,(H,24,26) |
| InChIK | CKQUMBAOPGPQER-UHFFFAOYSA-N |
| TotalMolweight | 357.412 |
| Molweight | 357.412 |
| MonoisotopicMass | 357.147727 |
| CLogP | 4.648 |
| CLogS | -6.194 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 280.82 |
| Relative PSA | 0.21562 |
| PolarSurfaceArea | 68.02 |
| Druglikeness | 0.75992 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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