FO5
Summary
Name: | 3-oxo-3-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}propanenitrile |
Formula: | C14 H14 N4 O2 S |
Formal charge: | 0 |
Formula weight: | 302.352 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 3-oxo-3-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}propanenitrile |
OpenEye OEToolkits | 1.7.2 | 3-oxidanylidene-3-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanenitrile |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N#CCC(=O)N3CCC(c1onc(n1)c2sccc2)CC3 |
InChI | InChI | 1.03 | InChI=1S/C14H14N4O2S/c15-6-3-12(19)18-7-4-10(5-8-18)14-16-13(17-20-14)11-2-1-9-21-11/h1-2,9-10H,3-5,7-8H2 |
InChIKey | InChI | 1.03 | SSTGJZVDCOEUFG-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | O=C(CC#N)N1CCC(CC1)c2onc(n2)c3sccc3 |
SMILES | CACTVS | 3.370 | O=C(CC#N)N1CCC(CC1)c2onc(n2)c3sccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1cc(sc1)c2nc(on2)C3CCN(CC3)C(=O)CC#N |
SMILES | OpenEye OEToolkits | 1.7.2 | c1cc(sc1)c2nc(on2)C3CCN(CC3)C(=O)CC#N |