P6A
Summary
| Name: | 3-(5-chlorofuran-2-yl)-5-methyl-4-phenyl-1,2-oxazole |
| Formula: | C14 H10 Cl N O2 |
| Formal charge: | 0 |
| Formula weight: | 259.688 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(5-chlorofuran-2-yl)-5-methyl-4-phenyl-1,2-oxazole |
| OpenEye OEToolkits | 2.0.6 | 3-(5-chloranylfuran-2-yl)-5-methyl-4-phenyl-1,2-oxazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc2c(c(c1oc(cc1)Cl)no2)c3ccccc3 |
| InChI | InChI | 1.03 | InChI=1S/C14H10ClNO2/c1-9-13(10-5-3-2-4-6-10)14(16-18-9)11-7-8-12(15)17-11/h2-8H,1H3 |
| InChIKey | InChI | 1.03 | IPAVFMUBTIUYBW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1onc(c2oc(Cl)cc2)c1c3ccccc3 |
| SMILES | CACTVS | 3.385 | Cc1onc(c2oc(Cl)cc2)c1c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c(c(no1)c2ccc(o2)Cl)c3ccccc3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c(c(no1)c2ccc(o2)Cl)c3ccccc3 |
