6JC
Summary
| Name: | 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridine |
| Formula: | C12 H11 N3 O |
| Formal charge: | 0 |
| Formula weight: | 213.235 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridine |
| OpenEye OEToolkits | 2.0.4 | 3,5-dimethyl-4-(1~{H}-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(cc2ccnc2nc1)c3c(noc3C)C |
| InChI | InChI | 1.03 | InChI=1S/C12H11N3O/c1-7-11(8(2)16-15-7)10-5-9-3-4-13-12(9)14-6-10/h3-6H,1-2H3,(H,13,14) |
| InChIKey | InChI | 1.03 | UKELRNSNPZHDOM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1onc(C)c1c2cnc3[nH]ccc3c2 |
| SMILES | CACTVS | 3.385 | Cc1onc(C)c1c2cnc3[nH]ccc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | Cc1c(c(on1)C)c2cc3cc[nH]c3nc2 |
| SMILES | OpenEye OEToolkits | 2.0.4 | Cc1c(c(on1)C)c2cc3cc[nH]c3nc2 |
