A1ALB
Summary
| Name: | 3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline |
| Formula: | C12 H9 N3 O |
| Formal charge: | 0 |
| Formula weight: | 211.219 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline |
| OpenEye OEToolkits | 2.0.7 | 3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Nc1cccc(c1)c1nc2ncccc2o1 |
| InChI | InChI | 1.06 | InChI=1S/C12H9N3O/c13-9-4-1-3-8(7-9)12-15-11-10(16-12)5-2-6-14-11/h1-7H,13H2 |
| InChIKey | InChI | 1.06 | HKWQPWPKROMXCJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1cccc(c1)c2oc3cccnc3n2 |
| SMILES | CACTVS | 3.385 | Nc1cccc(c1)c2oc3cccnc3n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)N)c2nc3c(o2)cccn3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)N)c2nc3c(o2)cccn3 |
