N-[(Z)-N'-(1,3-benzoxazol-2-yl)carbamimidoyl]-2-phenylacetamide
Formula:C16H14N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-N'-(1,3-benzoxazol-2-yl)carbamimidoyl]-2-phenylacetamide is a drug-like molecule.
| MolName | N-[(Z)-N'-(1,3-benzoxazol-2-yl)carbamimidoyl]-2-phenylacetamide |
| MolecularFormula | C16H14N4O2 |
| Smiles | N/C(/NC(Cc1ccccc1)=O)=N/c1nc(cccc2)c2o1 |
| InChI | InChI=1S/C16H14N4O2/c17-15(19-14(21)10-11-6-2-1-3-7-11)20-16-18-12-8-4-5-9-13(12)22-16/h1-9H,10H2,(H3,17,18,19,20,21) |
| InChIK | HXPWKMZDLUGZNB-UHFFFAOYSA-N |
| TotalMolweight | 294.313 |
| Molweight | 294.313 |
| MonoisotopicMass | 294.111676 |
| CLogP | 2.3525 |
| CLogS | -4.465 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 230.53 |
| Relative PSA | 0.33124 |
| PolarSurfaceArea | 93.51 |
| Druglikeness | 1.3821 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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