TM0
Summary
| Name: | (1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethan-1-amine |
| Formula: | C11 H13 N3 O |
| Formal charge: | 0 |
| Formula weight: | 203.24 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethan-1-amine |
| OpenEye OEToolkits | 2.0.7 | (1~{R})-1-[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(N)c1nc(Cc2ccccc2)no1 |
| InChI | InChI | 1.06 | InChI=1S/C11H13N3O/c1-8(12)11-13-10(14-15-11)7-9-5-3-2-4-6-9/h2-6,8H,7,12H2,1H3/t8-/m1/s1 |
| InChIKey | InChI | 1.06 | TXLVGLOXMNZBCL-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](N)c1onc(Cc2ccccc2)n1 |
| SMILES | CACTVS | 3.385 | C[CH](N)c1onc(Cc2ccccc2)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](c1nc(no1)Cc2ccccc2)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1nc(no1)Cc2ccccc2)N |
