A1DN5
Summary
| Name: | 1-{[5-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl}piperidin-4-amine |
| Formula: | C15 H18 F N3 O |
| Formal charge: | 0 |
| Formula weight: | 275.321 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 1-{[5-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl}piperidin-4-amine |
| OpenEye OEToolkits | 3.1.0.0 | 1-[[5-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Fc1ccc(cc1)c1ocnc1CN1CCC(N)CC1 |
| InChI | InChI | 1.06 | InChI=1S/C15H18FN3O/c16-12-3-1-11(2-4-12)15-14(18-10-20-15)9-19-7-5-13(17)6-8-19/h1-4,10,13H,5-9,17H2 |
| InChIKey | InChI | 1.06 | IQFLWVBQEBAWRJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC1CCN(CC1)Cc2ncoc2c3ccc(F)cc3 |
| SMILES | CACTVS | 3.385 | NC1CCN(CC1)Cc2ncoc2c3ccc(F)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1c2c(nco2)CN3CCC(CC3)N)F |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1c2c(nco2)CN3CCC(CC3)N)F |
