D25
Summary
| Name: | 3-phenyl-5-(1H-pyrazol-3-yl)isoxazole |
| Formula: | C12 H9 N3 O |
| Formal charge: | 0 |
| Formula weight: | 211.219 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-phenyl-5-(1H-pyrazol-3-yl)isoxazole |
| OpenEye OEToolkits | 1.5.0 | 3-phenyl-5-(1H-pyrazol-3-yl)-1,2-oxazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n1oc(cc1c2ccccc2)c3nncc3 |
| SMILES_CANONICAL | CACTVS | 3.341 | [nH]1ccc(n1)c2onc(c2)c3ccccc3 |
| SMILES | CACTVS | 3.341 | [nH]1ccc(n1)c2onc(c2)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)c2cc(on2)c3cc[nH]n3 |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)c2cc(on2)c3cc[nH]n3 |
| InChI | InChI | 1.03 | InChI=1S/C12H9N3O/c1-2-4-9(5-3-1)11-8-12(16-15-11)10-6-7-13-14-10/h1-8H,(H,13,14) |
| InChIKey | InChI | 1.03 | SRSSTOPJERVMRZ-UHFFFAOYSA-N |
