LFM
Summary
| Name: | N-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide |
| Formula: | C14 H14 F N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 275.278 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[(4-fluorophenyl)methyl]-6,7-dihydro-5~{H}-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(Cc1ccc(F)cc1)C(=O)c2cnn3c2OCCC3 |
| InChI | InChI | 1.03 | InChI=1S/C14H14FN3O2/c15-11-4-2-10(3-5-11)8-16-13(19)12-9-17-18-6-1-7-20-14(12)18/h2-5,9H,1,6-8H2,(H,16,19) |
| InChIKey | InChI | 1.03 | GWOXVNOLEPNQGX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(CNC(=O)c2cnn3CCCOc23)cc1 |
| SMILES | CACTVS | 3.385 | Fc1ccc(CNC(=O)c2cnn3CCCOc23)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1CNC(=O)c2cnn3c2OCCC3)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1CNC(=O)c2cnn3c2OCCC3)F |
