W01
Summary
| Name: | 2,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZOLYL]-PROPANYL)-4-[2N-METHYL-2H-TETRAZOL-5-YL]-PHENOL |
| Synonyms: | WIN61209 |
| Formula: | C17 H21 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 327.381 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5-{3,5-dimethyl-4-[3-(3-methylisoxazol-5-yl)propoxy]phenyl}-2-methyl-2H-tetrazole |
| OpenEye OEToolkits | 1.5.0 | 5-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-2-methyl-1,2,3,4-tetrazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n1n(nnc1c3cc(c(OCCCc2onc(c2)C)c(c3)C)C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | Cn1nnc(n1)c2cc(C)c(OCCCc3onc(C)c3)c(C)c2 |
| SMILES | CACTVS | 3.341 | Cn1nnc(n1)c2cc(C)c(OCCCc3onc(C)c3)c(C)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cc(cc(c1OCCCc2cc(no2)C)C)c3nnn(n3)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cc(cc(c1OCCCc2cc(no2)C)C)c3nnn(n3)C |
| InChI | InChI | 1.03 | InChI=1S/C17H21N5O2/c1-11-8-14(17-18-21-22(4)19-17)9-12(2)16(11)23-7-5-6-15-10-13(3)20-24-15/h8-10H,5-7H2,1-4H3 |
| InChIKey | InChI | 1.03 | RVZKQTQAFHEOKT-UHFFFAOYSA-N |
