A1BCM
Summary
| Name: | 5-({3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl}methyl)pyridin-2-amine |
| Formula: | C16 H16 N4 O |
| Formal charge: | 0 |
| Formula weight: | 280.324 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 5-({3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl}methyl)pyridin-2-amine |
| OpenEye OEToolkits | 3.1.0.0 | 5-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Nc1ccc(cn1)Cc1nc(Cc2ccccc2C)no1 |
| InChI | InChI | 1.06 | InChI=1S/C16H16N4O/c1-11-4-2-3-5-13(11)9-15-19-16(21-20-15)8-12-6-7-14(17)18-10-12/h2-7,10H,8-9H2,1H3,(H2,17,18) |
| InChIKey | InChI | 1.06 | LGBAWSHDCWXQBT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccccc1Cc2noc(Cc3ccc(N)nc3)n2 |
| SMILES | CACTVS | 3.385 | Cc1ccccc1Cc2noc(Cc3ccc(N)nc3)n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1ccccc1Cc2nc(on2)Cc3ccc(nc3)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1ccccc1Cc2nc(on2)Cc3ccc(nc3)N |
