A1DB2
Summary
| Name: | 7-(dimethylamino)-1-[5-(thiophen-2-yl)-1,2-oxazol-3-yl]heptan-1-one |
| Formula: | C16 H22 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 306.423 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 7-(dimethylamino)-1-[5-(thiophen-2-yl)-1,2-oxazol-3-yl]heptan-1-one |
| OpenEye OEToolkits | 3.1.0.0 | 7-(dimethylamino)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)heptan-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CN(C)CCCCCCC(=O)c1noc(c1)c1cccs1 |
| InChI | InChI | 1.06 | InChI=1S/C16H22N2O2S/c1-18(2)10-6-4-3-5-8-14(19)13-12-15(20-17-13)16-9-7-11-21-16/h7,9,11-12H,3-6,8,10H2,1-2H3 |
| InChIKey | InChI | 1.06 | ILFPEPVTAVJFQO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)CCCCCCC(=O)c1cc(on1)c2sccc2 |
| SMILES | CACTVS | 3.385 | CN(C)CCCCCCC(=O)c1cc(on1)c2sccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CN(C)CCCCCCC(=O)c1cc(on1)c2cccs2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CN(C)CCCCCCC(=O)c1cc(on1)c2cccs2 |
