8SA
Summary
| Name: | 5-methyl-N-[(thiophen-2-yl)methyl]-1,2-oxazol-3-amine |
| Formula: | C9 H10 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 194.253 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-methyl-N-[(thiophen-2-yl)methyl]-1,2-oxazol-3-amine |
| OpenEye OEToolkits | 2.0.6 | 5-methyl-~{N}-(thiophen-2-ylmethyl)-1,2-oxazol-3-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(c1noc(C)c1)Cc2cccs2 |
| InChI | InChI | 1.03 | InChI=1S/C9H10N2OS/c1-7-5-9(11-12-7)10-6-8-3-2-4-13-8/h2-5H,6H2,1H3,(H,10,11) |
| InChIKey | InChI | 1.03 | SXTOSOZKUQLFBT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1onc(NCc2sccc2)c1 |
| SMILES | CACTVS | 3.385 | Cc1onc(NCc2sccc2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(no1)NCc2cccs2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(no1)NCc2cccs2 |
