FJ3
Summary
| Name: | 4-(5-amino-1,2-oxazol-3-yl)-6-(propan-2-yl)benzene-1,3-diol |
| Formula: | C12 H14 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 234.251 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(5-amino-1,2-oxazol-3-yl)-6-(propan-2-yl)benzene-1,3-diol |
| OpenEye OEToolkits | 1.7.6 | 4-(5-azanyl-1,2-oxazol-3-yl)-6-propan-2-yl-benzene-1,3-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1oc(cc1c2c(O)cc(O)c(c2)C(C)C)N |
| InChI | InChI | 1.03 | InChI=1S/C12H14N2O3/c1-6(2)7-3-8(11(16)5-10(7)15)9-4-12(13)17-14-9/h3-6,15-16H,13H2,1-2H3 |
| InChIKey | InChI | 1.03 | OMMLTOZTUCUOCZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)c1cc(c(O)cc1O)c2cc(N)on2 |
| SMILES | CACTVS | 3.385 | CC(C)c1cc(c(O)cc1O)c2cc(N)on2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)c1cc(c(cc1O)O)c2cc(on2)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)c1cc(c(cc1O)O)c2cc(on2)N |
