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 |