D6Y
Summary
| Name: | 3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine |
| Formula: | C11 H18 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 210.273 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine |
| OpenEye OEToolkits | 2.0.6 | 3-[(5-~{tert}-butyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(onc(c1)CC2(N)COC2)C(C)(C)C |
| InChI | InChI | 1.03 | InChI=1S/C11H18N2O2/c1-10(2,3)9-4-8(13-15-9)5-11(12)6-14-7-11/h4H,5-7,12H2,1-3H3 |
| InChIKey | InChI | 1.03 | VYXDDHGPKQWWIR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)c1onc(CC2(N)COC2)c1 |
| SMILES | CACTVS | 3.385 | CC(C)(C)c1onc(CC2(N)COC2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)(C)c1cc(no1)CC2(COC2)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)(C)c1cc(no1)CC2(COC2)N |
