WQ4
Summary
| Name: | 5-amino-2-methyl-1,3-oxazole-4-carbonitrile |
| Formula: | C5 H5 N3 O |
| Formal charge: | 0 |
| Formula weight: | 123.113 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-amino-2-methyl-1,3-oxazole-4-carbonitrile |
| OpenEye OEToolkits | 2.0.7 | 5-azanyl-2-methyl-1,3-oxazole-4-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N#Cc1c(oc(n1)C)N |
| InChI | InChI | 1.03 | InChI=1S/C5H5N3O/c1-3-8-4(2-6)5(7)9-3/h7H2,1H3 |
| InChIKey | InChI | 1.03 | OVIXKBXQNCJGDG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1oc(N)c(n1)C#N |
| SMILES | CACTVS | 3.385 | Cc1oc(N)c(n1)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1nc(c(o1)N)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1nc(c(o1)N)C#N |
