AJJ
Summary
| Name: | 4-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol |
| Formula: | C14 H17 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 259.304 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol |
| OpenEye OEToolkits | 2.0.6 | 4-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1CN(C)CCC1c2noc(n2)c3ccc(cc3)O |
| InChI | InChI | 1.03 | InChI=1S/C14H17N3O2/c1-17-8-6-10(7-9-17)13-15-14(19-16-13)11-2-4-12(18)5-3-11/h2-5,10,18H,6-9H2,1H3 |
| InChIKey | InChI | 1.03 | BGJREFNVLIBEOU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCC(CC1)c2noc(n2)c3ccc(O)cc3 |
| SMILES | CACTVS | 3.385 | CN1CCC(CC1)c2noc(n2)c3ccc(O)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN1CCC(CC1)c2nc(on2)c3ccc(cc3)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN1CCC(CC1)c2nc(on2)c3ccc(cc3)O |
