A1ANH
Summary
| Name: | 1,3-oxazole-4-carbonitrile |
| Formula: | C4 H2 N2 O |
| Formal charge: | 0 |
| Formula weight: | 94.071 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1,3-oxazole-4-carbonitrile |
| OpenEye OEToolkits | 2.0.7 | 1,3-oxazole-4-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N#Cc1cocn1 |
| InChI | InChI | 1.06 | InChI=1S/C4H2N2O/c5-1-4-2-7-3-6-4/h2-3H |
| InChIKey | InChI | 1.06 | UEEBKQWDBWDPKD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N#Cc1cocn1 |
| SMILES | CACTVS | 3.385 | N#Cc1cocn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(nco1)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(nco1)C#N |
