5Q8
Summary
| Name: | 5-azanyl-2-(phenylmethyl)-1,3-oxazole-4-carbonitrile |
| Formula: | C11 H9 N3 O |
| Formal charge: | 0 |
| Formula weight: | 199.209 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | 5-azanyl-2-(phenylmethyl)-1,3-oxazole-4-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H9N3O/c12-7-9-11(13)15-10(14-9)6-8-4-2-1-3-5-8/h1-5H,6,13H2 |
| InChIKey | InChI | 1.03 | DCUCOAMWPAFMQZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1oc(Cc2ccccc2)nc1C#N |
| SMILES | CACTVS | 3.385 | Nc1oc(Cc2ccccc2)nc1C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1ccc(cc1)Cc2nc(c(o2)N)C#N |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1ccc(cc1)Cc2nc(c(o2)N)C#N |
