KU3
Summary
| Name: | (5-fluoroisoindolin-2-yl)(4-hydroxy-5-isopropylbenzo[d]isoxazol-7-yl)methanone |
| Synonyms: | (5-fluoro-1,3-dihydro-2H-isoindol-2-yl)[4-hydroxy-7-(propan-2-yl)-1,2-benzoxazol-5-yl]methanone |
| Formula: | C19 H17 F N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 340.348 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5-fluoro-1,3-dihydro-2H-isoindol-2-yl)[4-hydroxy-7-(propan-2-yl)-1,2-benzoxazol-5-yl]methanone |
| OpenEye OEToolkits | 2.0.6 | (5-fluoranyl-1,3-dihydroisoindol-2-yl)-(4-oxidanyl-7-propan-2-yl-1,2-benzoxazol-5-yl)methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(C)c3cc(C(N1Cc2c(C1)ccc(c2)F)=O)c(O)c4c3onc4 |
| InChI | InChI | 1.03 | InChI=1S/C19H17FN2O3/c1-10(2)14-6-15(17(23)16-7-21-25-18(14)16)19(24)22-8-11-3-4-13(20)5-12(11)9-22/h3-7,10,23H,8-9H2,1-2H3 |
| InChIKey | InChI | 1.03 | XKVXUSFQFBIYEQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)c1cc(c(O)c2cnoc12)C(=O)N3Cc4ccc(F)cc4C3 |
| SMILES | CACTVS | 3.385 | CC(C)c1cc(c(O)c2cnoc12)C(=O)N3Cc4ccc(F)cc4C3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)c1cc(c(c2c1onc2)O)C(=O)N3Cc4ccc(cc4C3)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)c1cc(c(c2c1onc2)O)C(=O)N3Cc4ccc(cc4C3)F |
