A1AP3
Summary
| Name: | 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2(1H)-one |
| Formula: | C10 H11 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 205.213 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2(1H)-one |
| OpenEye OEToolkits | 2.0.7 | 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1C=CC=CN1Cc1nc(CC)on1 |
| InChI | InChI | 1.06 | InChI=1S/C10H11N3O2/c1-2-9-11-8(12-15-9)7-13-6-4-3-5-10(13)14/h3-6H,2,7H2,1H3 |
| InChIKey | InChI | 1.06 | LLAHWSDSLKVDNQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1onc(CN2C=CC=CC2=O)n1 |
| SMILES | CACTVS | 3.385 | CCc1onc(CN2C=CC=CC2=O)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1nc(no1)CN2C=CC=CC2=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCc1nc(no1)CN2C=CC=CC2=O |
