Pleconaril
PubChem CID: 1684
Connections displayed (default: 10).
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| Compound Synonyms | Pleconaril, 153168-05-9, Picovir, Win-63843, VP-63843, Win 63843, Pleconaril [USAN:INN], Pleconaril-d8, Pleconarilo, VP 63843, 3-(3,5-dimethyl-4-(3-(3-methylisoxazol-5-yl)propoxy)phenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole, DTXSID8057649, PLECONARIL [MI], WIN63843, PLECONARIL [INN], PLECONARIL [USAN], 3-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole, 3-{3,5-dimethyl-4-[3-(3-methyl-isoxazol-5-yl)-propoxy]-phenyl}-5-trifluoromethyl-[1,2,4]oxadiazole, 9H4570Q89D, PLECONARIL [MART.], PLECONARIL [WHO-DD], CHEMBL29609, 3-[3,5-Dimethyl-4-[3-(3-methyl-5-isoxazolyl)propoxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole, 3-[3,5-dimethyl-4-[3-(3-methylisoxazol-5-yl)propoxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole, DTXCID9031438, 3-(4-(3-(3-Methyl-5-isoxazolyl)propoxy)-3,5-xylyl)-5-trifluoromethyl)-1,2,4-oxadizole, 3-(3,5-Dimethyl-4-(3-(3-methyl-5-isoxazolyl)propoxy)phenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole, VP63843, PLECONARIL (MART.), 1,2,4-Oxadiazole, 3-(3,5-dimethyl-4-(3-(3-methyl-5-isoxazolyl)propoxy)phenyl)-5-(trifluoromethyl)-, 3-(3,5-dimethyl-4((3-(3-methyl-5-isoxazolyl)propyl)phenyl)-5-trifluoromethyl)-1,2,4-oxadiazole, 3-(3,5-dimethyl-4-(3-(3-methyl-1,2-oxazol-5-yl)propoxy)phenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole, W11, pleconarilum, Pleconarilis?, SR-263843, UNII-9H4570Q89D, 1,2,4-Oxadiazole, 3-[3,5-dimethyl-4-[3-(3-methyl-5-isoxazolyl)propoxy]phenyl]-5-(trifluoromethyl)-, 3-[3,5-Dimethyl-4-[3-(3-methyl-5-isoxazolyl)propoxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole, Picovir, Pleconaril, VP 63843, Win 63843, 3-{3,5-dimethyl-4-[3-(3-methylisoxazol-5-yl)propoxy]phenyl}-5-(trifluoromethyl)-1,2,4-oxadiazole, MFCD00923611, Pleconaril (Standard), SR-63843, Pleconaril (USAN/INN), SCHEMBL49383, Pleconaril - Bio-X trade mark, Pleconaril, >=98% (HPLC), J05AX06, KQOXLKOJHVFTRN-UHFFFAOYSA-N, GLXC-10515, BCP20819, EX-A1448, Tox21_113756, BDBM50111469, HY-19952R, AKOS016005860, Pleconaril, VP 63843, Win 63843, CS-5475, DB05105, FP27098, NCGC00253627-01, 5-[3-[2,6-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propyl]-3-methylisoxazole, AC-36849, AS-77268, BP300112, HY-19952, Pleconaril 100 microg/mL in Acetonitrile, DB-012510, CAS-153168-05-9, NS00068598, D05528, F20826, Q770293, SR-01000945059, SR-01000945059-1, BRD-K27625831-001-01-1, BRD-K27625831-001-02-9, 1,3-Dimethyl-2-[3-(3-methylisoxazol-5-yl)propoxy]-5-[5-(trifluoromethyl)(1,2,4-oxadiazol-3-yl)]benzene, 3-{3,5-Dimethyl-4-[3-(3-methyl-isoxazol-5-yl)-propoxy]-phenyl}-5-trifluoromethyl-[1,2,4]oxadiazole(Pleconaril), 683-423-9, Pleconaril3-{3,5-Dimethyl-4-[3-(3-methyl-isoxazol-5-yl)-propoxy]-phenyl}-5-trifluoromethyl-[1,2,4]oxadiazole |
|---|---|
| Topological Polar Surface Area | 74.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 471.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q4U254, P05177, P11712, P33261, P10635, P08684, O75469, n.a., Q66478, Q7T664, P0DTD1, Q03181 |
| Iupac Name | 3-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole |
| Prediction Hob | 1.0 |
| Target Id | NPT110, NPT109, NPT543 |
| Xlogp | 4.6 |
| Molecular Formula | C18H18F3N3O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | KQOXLKOJHVFTRN-UHFFFAOYSA-N |
| Fcsp3 | 0.3888888888888889 |
| Logs | -5.443 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.824 |
| Compound Name | Pleconaril |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 381.13 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 381.13 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 381.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.091513318518518 |
| Inchi | InChI=1S/C18H18F3N3O3/c1-10-7-13(16-22-17(27-24-16)18(19,20)21)8-11(2)15(10)25-6-4-5-14-9-12(3)23-26-14/h7-9H,4-6H2,1-3H3 |
| Smiles | CC1=CC(=CC(=C1OCCCC2=CC(=NO2)C)C)C3=NOC(=N3)C(F)(F)F |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
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