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 |