3MQ
Summary
| Name: | (5-thiophen-2-ylisoxazol-3-yl)methanol |
| Formula: | C8 H7 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 181.212 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [5-(thiophen-2-yl)-1,2-oxazol-3-yl]methanol |
| OpenEye OEToolkits | 1.7.0 | (5-thiophen-2-yl-1,2-oxazol-3-yl)methanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2oc(c1sccc1)cc2CO |
| SMILES_CANONICAL | CACTVS | 3.370 | OCc1cc(on1)c2sccc2 |
| SMILES | CACTVS | 3.370 | OCc1cc(on1)c2sccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(sc1)c2cc(no2)CO |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(sc1)c2cc(no2)CO |
| InChI | InChI | 1.03 | InChI=1S/C8H7NO2S/c10-5-6-4-7(11-9-6)8-2-1-3-12-8/h1-4,10H,5H2 |
| InChIKey | InChI | 1.03 | HUAGDHXVPCSWLD-UHFFFAOYSA-N |
