A1BMW
Summary
| Name: | 3-methyl-N-{[(3S)-oxolan-3-yl]methyl}-1,2-oxazole-5-carboxamide |
| Formula: | C10 H14 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 210.23 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 3-methyl-N-{[(3S)-oxolan-3-yl]methyl}-1,2-oxazole-5-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | 3-methyl-~{N}-[[(3~{S})-oxolan-3-yl]methyl]-1,2-oxazole-5-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(NCC1CCOC1)c1cc(C)no1 |
| InChI | InChI | 1.06 | InChI=1S/C10H14N2O3/c1-7-4-9(15-12-7)10(13)11-5-8-2-3-14-6-8/h4,8H,2-3,5-6H2,1H3,(H,11,13)/t8-/m0/s1 |
| InChIKey | InChI | 1.06 | VMYFKAZPRAZUQC-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(on1)C(=O)NC[C@@H]2CCOC2 |
| SMILES | CACTVS | 3.385 | Cc1cc(on1)C(=O)NC[CH]2CCOC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1cc(on1)C(=O)NC[C@@H]2CCOC2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1cc(on1)C(=O)NCC2CCOC2 |
