A1AKM
Summary
| Name: | N-[4-fluoro-5-({(2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidin-1-yl}methyl)-1,3-thiazol-2-yl]acetamide |
| Formula: | C16 H22 F N5 O3 S |
| Formal charge: | 0 |
| Formula weight: | 383.441 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[4-fluoro-5-({(2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidin-1-yl}methyl)-1,3-thiazol-2-yl]acetamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[4-fluoranyl-5-[[(2~{S},4~{S})-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc1nc(NC(=O)C)sc1CN1CCC(OCc2nc(C)on2)CC1C |
| InChI | InChI | 1.06 | InChI=1S/C16H22FN5O3S/c1-9-6-12(24-8-14-19-11(3)25-21-14)4-5-22(9)7-13-15(17)20-16(26-13)18-10(2)23/h9,12H,4-8H2,1-3H3,(H,18,20,23)/t9-,12-/m0/s1 |
| InChIKey | InChI | 1.06 | FRVXHWNHGWUTQO-CABZTGNLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1C[C@H](CCN1Cc2sc(NC(C)=O)nc2F)OCc3noc(C)n3 |
| SMILES | CACTVS | 3.385 | C[CH]1C[CH](CCN1Cc2sc(NC(C)=O)nc2F)OCc3noc(C)n3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1nc(no1)CO[C@H]2CCN([C@H](C2)C)Cc3c(nc(s3)NC(=O)C)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1nc(no1)COC2CCN(C(C2)C)Cc3c(nc(s3)NC(=O)C)F |
