TJ1
Summary
| Name: | 3-(propan-2-yl)-1,2,4-oxadiazol-5(4H)-one |
| Formula: | C5 H8 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 128.129 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(propan-2-yl)-1,2,4-oxadiazol-5(4H)-one |
| OpenEye OEToolkits | 2.0.7 | 3-propan-2-yl-4~{H}-1,2,4-oxadiazol-5-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1(=O)NC(=NO1)C(C)C |
| InChI | InChI | 1.03 | InChI=1S/C5H8N2O2/c1-3(2)4-6-5(8)9-7-4/h3H,1-2H3,(H,6,7,8) |
| InChIKey | InChI | 1.03 | MSHWTKGAZGNGGH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C1=NOC(=O)N1 |
| SMILES | CACTVS | 3.385 | CC(C)C1=NOC(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)C1=NOC(=O)N1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)C1=NOC(=O)N1 |
