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Pleconaril

PubChem CID: 1684

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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