NRW
Summary
| Name: | N,3-dimethyl-N-[(pyridin-3-yl)methyl]-1,2-oxazole-5-carboxamide |
| Formula: | C12 H13 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 231.251 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N,3-dimethyl-N-[(pyridin-3-yl)methyl]-1,2-oxazole-5-carboxamide |
| OpenEye OEToolkits | 1.7.6 | N,3-dimethyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-5-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc2cc(C(N(C)Cc1cccnc1)=O)on2 |
| InChI | InChI | 1.03 | InChI=1S/C12H13N3O2/c1-9-6-11(17-14-9)12(16)15(2)8-10-4-3-5-13-7-10/h3-7H,8H2,1-2H3 |
| InChIKey | InChI | 1.03 | YRZCJLIACJLYBI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(Cc1cccnc1)C(=O)c2onc(C)c2 |
| SMILES | CACTVS | 3.385 | CN(Cc1cccnc1)C(=O)c2onc(C)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cc(on1)C(=O)N(C)Cc2cccnc2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(on1)C(=O)N(C)Cc2cccnc2 |
