A1IWF
Summary
| Name: | (5~{S})-5-[[2,6-bis(fluoranyl)phenyl]methoxymethyl]-3-(2-fluorophenyl)-5-methyl-4~{H}-1,2-oxazole |
| Formula: | C18 H16 F3 N O2 |
| Formal charge: | 0 |
| Formula weight: | 335.32 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (5~{S})-5-[[2,6-bis(fluoranyl)phenyl]methoxymethyl]-3-(2-fluorophenyl)-5-methyl-4~{H}-1,2-oxazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H16F3NO2/c1-18(11-23-10-13-15(20)7-4-8-16(13)21)9-17(22-24-18)12-5-2-3-6-14(12)19/h2-8H,9-11H2,1H3/t18-/m0/s1 |
| InChIKey | InChI | 1.06 | ZEFIDENJKVKCIX-SFHVURJKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@]1(COCc2c(F)cccc2F)CC(=NO1)c3ccccc3F |
| SMILES | CACTVS | 3.385 | C[C]1(COCc2c(F)cccc2F)CC(=NO1)c3ccccc3F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@]1(CC(=NO1)c2ccccc2F)COCc3c(cccc3F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1(CC(=NO1)c2ccccc2F)COCc3c(cccc3F)F |
