5-(furan-2-ylmethylamino)-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile
Formula:C17H13N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-(furan-2-ylmethylamino)-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile is a drug-like molecule.
| MolName | 5-(furan-2-ylmethylamino)-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile |
| MolecularFormula | C17H13N3O2 |
| Smiles | N#Cc1c(NCc2ccco2)oc(/C=C/c2ccccc2)n1 |
| InChI | InChI=1S/C17H13N3O2/c18-11-15-17(19-12-14-7-4-10-21-14)22-16(20-15)9-8-13-5-2-1-3-6-13/h1-10,19H,12H2 |
| InChIK | FPTARECHFWZMPA-UHFFFAOYSA-N |
| TotalMolweight | 291.309 |
| Molweight | 291.309 |
| MonoisotopicMass | 291.100777 |
| CLogP | 2.8233 |
| CLogS | -4.872 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 244.35 |
| Relative PSA | 0.26278 |
| PolarSurfaceArea | 74.99 |
| Druglikeness | -4.7533 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 5-(furan-2-ylmethylamino)-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile | 2 - 5-(furan-2-ylmethylamino)-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off