A1BGR
Summary
| Name: | N-{3-chloro-5-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl}-2-methyl-3-oxo-2,3-dihydro-1,2-oxazole-5-carboxamide |
| Formula: | C16 H18 Cl N3 O5 |
| Formal charge: | 0 |
| Formula weight: | 367.784 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-{3-chloro-5-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl}-2-methyl-3-oxo-2,3-dihydro-1,2-oxazole-5-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-[3-chloranyl-5-[(2-methyl-1-oxidanyl-propan-2-yl)carbamoyl]phenyl]-2-methyl-3-oxidanylidene-1,2-oxazole-5-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Nc1cc(cc(Cl)c1)C(=O)NC(C)(C)CO)C1=CC(=O)N(C)O1 |
| InChI | InChI | 1.06 | InChI=1S/C16H18ClN3O5/c1-16(2,8-21)19-14(23)9-4-10(17)6-11(5-9)18-15(24)12-7-13(22)20(3)25-12/h4-7,21H,8H2,1-3H3,(H,18,24)(H,19,23) |
| InChIKey | InChI | 1.06 | CSQNGCOGZOXVAY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1OC(=CC1=O)C(=O)Nc2cc(Cl)cc(c2)C(=O)NC(C)(C)CO |
| SMILES | CACTVS | 3.385 | CN1OC(=CC1=O)C(=O)Nc2cc(Cl)cc(c2)C(=O)NC(C)(C)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(C)(CO)NC(=O)c1cc(cc(c1)Cl)NC(=O)C2=CC(=O)N(O2)C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(C)(CO)NC(=O)c1cc(cc(c1)Cl)NC(=O)C2=CC(=O)N(O2)C |
