1-[[4-[5-[4-[(2S)-butan-2-yl]oxy-3,5-difluorophenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-[(2S)-butan-2-yl]oxy-3-fluorophenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-(2,2-dimethylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-(2-methylbutan-2-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid

C114H117F6N15O17 — CID 159928080

IUPAC1-[[4-[5-[4-[(2S)-butan-2-yl]oxy-3,5-difluorophenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-[(2S)-butan-2-yl]oxy-3-fluorophenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-(2,2-dimethylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-(2-methylbutan-2-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid
SMILESCC(C)(C)Cc1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1.CCC(C)(C)c1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1.CC[C@H](C)Oc1c(F)cc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1F.CC[C@H](C)Oc1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1F.O=C(O)C1CN(Cc2ccc(-c3noc(-c4ccc(C(F)(F)F)cc4)n3)cc2)C1
InChIInChI=1S/2C24H27N3O3.C23H23F2N3O4.C23H24FN3O4.C20H16F3N3O3/c1-24(2,3)12-16-4-10-19(11-5-16)22-25-21(26-30-22)18-8-6-17(7-9-18)13-27-14-20(15-27)23(28)29;1-4-24(2,3)20-11-9-18(10-12-20)22-25-21(26-30-22)17-7-5-16(6-8-17)13-27-14-19(15-27)23(28)29;1-3-13(2)31-20-18(24)8-16(9-19(20)25)22-26-21(27-32-22)15-6-4-14(5-7-15)10-28-11-17(12-28)23(29)30;1-3-14(2)30-20-9-8-17(10-19(20)24)22-25-21(26-31-22)16-6-4-15(5-7-16)11-27-12-18(13-27)23(28)29;21-20(22,23)16-7-5-14(6-8-16)18-24-17(25-29-18)13-3-1-12(2-4-13)9-26-10-15(11-26)19(27)28/h4-11,20H,12-15H2,1-3H3,(H,28,29);5-12,19H,4,13-15H2,1-3H3,(H,28,29);4-9,13,17H,3,10-12H2,1-2H3,(H,29,30);4-10,14,18H,3,11-13H2,1-2H3,(H,28,29);1-8,15H,9-11H2,(H,27,28)/t;;13-;14-;/m..00./s1
InChIKeyNZGXGBOTVWSSBJ-APAFYBSXSA-N
MW2083.27 g/mol
LogP21.67
Rot. Bonds34

About 1-[[4-[5-[4-[(2S)-butan-2-yl]oxy-3,5-difluorophenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-[(2S)-butan-2-yl]oxy-3-fluorophenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-(2,2-dimethylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-(2-methylbutan-2-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid

1-[[4-[5-[4-[(2S)-butan-2-yl]oxy-3,5-difluorophenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-[(2S)-butan-2-yl]oxy-3-fluorophenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-(2,2-dimethylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-(2-methylbutan-2-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid (PubChem CID 159928080) has the molecular formula C114H117F6N15O17 and a molecular weight of 2083.27 g/mol. Its IUPAC name is 1-[[4-[5-[4-[(2S)-butan-2-yl]oxy-3,5-difluorophenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-[(2S)-butan-2-yl]oxy-3-fluorophenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-(2,2-dimethylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-(2-methylbutan-2-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[4-[5-[4-[(2S)-butan-2-yl]oxy-3,5-difluorophenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-[(2S)-butan-2-yl]oxy-3-fluorophenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-(2,2-dimethylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-(2-methylbutan-2-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid
PubChem CID159928080
Molecular FormulaC114H117F6N15O17
Molecular Weight2083.27 g/mol
Exact Mass2081.87
IUPAC Name1-[[4-[5-[4-[(2S)-butan-2-yl]oxy-3,5-difluorophenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-[(2S)-butan-2-yl]oxy-3-fluorophenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-(2,2-dimethylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-(2-methylbutan-2-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid
SMILESCC(C)(C)Cc1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1.CCC(C)(C)c1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1.CC[C@H](C)Oc1c(F)cc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1F.CC[C@H](C)Oc1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1F.O=C(O)C1CN(Cc2ccc(-c3noc(-c4ccc(C(F)(F)F)cc4)n3)cc2)C1
InChIInChI=1S/2C24H27N3O3.C23H23F2N3O4.C23H24FN3O4.C20H16F3N3O3/c1-24(2,3)12-16-4-10-19(11-5-16)22-25-21(26-30-22)18-8-6-17(7-9-18)13-27-14-20(15-27)23(28)29;1-4-24(2,3)20-11-9-18(10-12-20)22-25-21(26-30-22)17-7-5-16(6-8-17)13-27-14-19(15-27)23(28)29;1-3-13(2)31-20-18(24)8-16(9-19(20)25)22-26-21(27-32-22)15-6-4-14(5-7-15)10-28-11-17(12-28)23(29)30;1-3-14(2)30-20-9-8-17(10-19(20)24)22-25-21(26-31-22)16-6-4-15(5-7-16)11-27-12-18(13-27)23(28)29;21-20(22,23)16-7-5-14(6-8-16)18-24-17(25-29-18)13-3-1-12(2-4-13)9-26-10-15(11-26)19(27)28/h4-11,20H,12-15H2,1-3H3,(H,28,29);5-12,19H,4,13-15H2,1-3H3,(H,28,29);4-9,13,17H,3,10-12H2,1-2H3,(H,29,30);4-10,14,18H,3,11-13H2,1-2H3,(H,28,29);1-8,15H,9-11H2,(H,27,28)/t;;13-;14-;/m..00./s1
InChIKeyNZGXGBOTVWSSBJ-APAFYBSXSA-N
XLogP21.67
TPSA415.76 Ų
H-Bond Donors5
H-Bond Acceptors27
Rotatable Bonds34
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002083.27
LogP ≤ 521.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1027

Analyze 1-[[4-[5-[4-[(2S)-butan-2-yl]oxy-3,5-difluorophenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-[(2S)-butan-2-yl]oxy-3-fluorophenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-(2,2-dimethylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-(2-methylbutan-2-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid with MolForge

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Related Compounds

3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-Pentadecafluoroheptyl)-5-[2,3,5,6-tetrafluoro-4-[[5,11,17,23,29-pentatert-butyl-32,33,34,35-tetrakis[2,3,5,6-tetrafluoro-4-[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,2,4-oxadiazol-5-yl]phenoxy]-31-hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15(33),16,18,21(32),22,24,27(31),28-pentadecaenyl]oxy]phenyl]-1,2,4-oxadiazole
CID 101424349
(3S)-7-[5-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-1'-(2-hydroxyethyl)spiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one;(3R)-7-[5-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-1'-(2-hydroxyethyl)spiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one;(3S)-1'-(2-hydroxyethyl)-7-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]spiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one;(3R)-1'-(2-hydroxyethyl)-7-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]spiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one
CID 157658218
7-[5-[4-(1,1-Difluoroethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-1'-(2-hydroxyethyl)spiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one;7-[5-[4-(1-fluoroethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-1'-(2-hydroxyethyl)spiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one;1'-(2-hydroxyethyl)-7-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]spiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one;1'-(2-hydroxyethyl)-7-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]spiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one
CID 157846761
2-[[(1S)-1-[4-[[5-(4-tert-butylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethyl]-(2-methylpropoxycarbonyl)amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1S)-1-[4-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1S)-1-[4-[2-[5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]ethoxy]phenyl]ethyl]amino]acetic acid;2-[[(1S)-1-[4-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethyl]-(2-methylpropoxycarbonyl)amino]acetic acid;2-[2-methylpropoxycarbonyl-[(1S)-1-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[2-methylpropoxycarbonyl-[(1S)-1-[4-[[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethyl]amino]acetic acid
CID 158131156
3-[4-[(3-Ethylazetidin-1-yl)methyl]phenyl]-5-[4-(2-fluoroethoxy)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;2-ethyl-4-[4-[5-[4-(2-fluoroethoxy)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]butan-1-ol;5-[4-(2-fluoroethoxy)-3-methylphenyl]-3-[4-[2-(2-propoxyethoxy)ethoxymethyl]phenyl]-1,2,4-oxadiazole;5-[4-(2-fluoroethoxy)-3-methylphenyl]-3-[4-(2-propoxyethoxymethyl)phenyl]-1,2,4-oxadiazole;1-[4-[5-[4-(2-fluoroethoxy)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]propan-1-ol;5-[4-(2-fluoroethoxy)-3-(trifluoromethyl)phenyl]-3-[4-(propoxymethyl)phenyl]-1,2,4-oxadiazole
CID 158432532
3-[4-[(3-Ethylazetidin-1-yl)methyl]phenyl]-5-[4-(2-fluoroethoxy)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[4-(2-fluoroethoxy)-3-methylphenyl]-3-[4-[2-(2-propoxyethoxy)ethoxymethyl]phenyl]-1,2,4-oxadiazole;5-[4-(2-fluoroethoxy)-3-methylphenyl]-3-[4-(2-propoxyethoxymethyl)phenyl]-1,2,4-oxadiazole;2-[2-[4-[5-[4-(2-fluoroethoxy)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]ethyl]propane-1,3-diol;1-[4-[5-[4-(2-fluoroethoxy)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]propan-1-ol;5-[4-(2-fluoroethoxy)-3-(trifluoromethyl)phenyl]-3-[4-(propoxymethyl)phenyl]-1,2,4-oxadiazole
CID 158956522
3-[[4-[5-[3-cyano-4-(2-fluoroethoxy)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]propanoic acid;3-(4-ethylphenyl)-5-[4-(2-fluoroethoxy)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[4-(2-fluoroethoxy)phenyl]-3-[4-[(3-methylazetidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;5-[4-(2-fluoroethoxy)-3-(trifluoromethyl)phenyl]-3-[4-[(3-methylazetidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;N-[[4-[5-[4-(2-fluoroethoxy)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]propan-1-amine;5-[4-(2-fluoroethoxy)-3-(trifluoromethyl)phenyl]-3-(4-propoxyphenyl)-1,2,4-oxadiazole
CID 159619831
1-[[4-[5-[4-[(2S)-butan-2-yl]oxy-3,5-difluorophenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-[(2S)-butan-2-yl]oxy-3-fluorophenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-[(2S)-butan-2-yl]oxyphenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-(4-cyclobutyloxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-(2,2-dimethylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-(2-methylbutan-2-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid
CID 159754976
5-[3-[4-(Ethylaminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-(2-fluoroethoxy)benzonitrile;3-(4-ethylphenyl)-5-[4-(2-fluoroethoxy)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[4-(2-fluoroethoxy)phenyl]-3-[4-[(3-methylazetidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;2-(2-fluoroethoxy)-5-[3-[4-(propylaminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]benzonitrile;5-[4-(2-fluoroethoxy)-3-(trifluoromethyl)phenyl]-3-[4-[(3-methylazetidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;5-[4-(2-fluoroethoxy)-3-(trifluoromethyl)phenyl]-3-(4-propoxyphenyl)-1,2,4-oxadiazole
CID 159957565
7-[5-[4-(1,1-Difluoroethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-1'-(2-hydroxyethyl)spiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one;7-[5-[4-(1-fluoroethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-1'-(2-hydroxyethyl)spiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one;1'-(2-hydroxyethyl)-7-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]spiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one;1'-(2-hydroxyethyl)-7-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]spiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one
CID 160135031
2-(2-fluoroethoxy)-5-[3-[4-(hydroxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]benzonitrile;N-[2-[[4-[5-[4-(2-fluoroethoxy)-3-methylphenyl]-1,2,4-oxadiazol-3-yl]phenyl]methoxy]ethyl]-N-methylpropan-1-amine;1-[[4-[5-[4-(2-fluoroethoxy)-3-methylphenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl-methylamino]propan-1-ol;5-[4-(2-fluoroethoxy)-3-methylphenyl]-3-(4-pentylphenyl)-1,2,4-oxadiazole;5-[4-(2-fluoroethoxy)-3-methylphenyl]-3-(4-propoxyphenyl)-1,2,4-oxadiazole;1-[[4-[5-[4-(2-fluoroethoxy)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methoxy]butan-2-ol
CID 160267603
2-Ethyl-4-[4-[5-[4-(2-fluoroethoxy)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]butan-1-ol;3-(4-ethylphenyl)-5-[4-(2-fluoroethoxy)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(4-ethylphenyl)-5-[4-(3-fluoropropoxy)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[4-(2-fluoroethoxy)-3-(trifluoromethyl)phenyl]-3-[3-(3-methylazetidin-1-yl)phenyl]-1,2,4-oxadiazole;1-[4-[5-[4-(2-fluoroethoxy)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]pentan-1-one;bis(1-[4-[5-[4-(2-fluoroethoxy)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]propan-1-one)
CID 160696741

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[5-[4-[(2S)-butan-2-yl]oxy-3,5-difluorophenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-[(2S)-butan-2-yl]oxy-3-fluorophenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-(2,2-dimethylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-(2-methylbutan-2-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[[4-[5-[4-[(2S)-butan-2-yl]oxy-3,5-difluorophenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-[(2S)-butan-2-yl]oxy-3-fluorophenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-(2,2-dimethylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-(2-methylbutan-2-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid (CID 159928080) is 1-[[4-[5-[4-[(2S)-butan-2-yl]oxy-3,5-difluorophenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-[(2S)-butan-2-yl]oxy-3-fluorophenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-(2,2-dimethylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-(2-methylbutan-2-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[[4-[5-[4-[(2S)-butan-2-yl]oxy-3,5-difluorophenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-[(2S)-butan-2-yl]oxy-3-fluorophenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-(2,2-dimethylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-(2-methylbutan-2-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[[4-[5-[4-[(2S)-butan-2-yl]oxy-3,5-difluorophenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-[(2S)-butan-2-yl]oxy-3-fluorophenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-(2,2-dimethylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-(2-methylbutan-2-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid is CC(C)(C)Cc1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1.CCC(C)(C)c1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1.CC[C@H](C)Oc1c(F)cc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1F.CC[C@H](C)Oc1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1F.O=C(O)C1CN(Cc2ccc(-c3noc(-c4ccc(C(F)(F)F)cc4)n3)cc2)C1.
What is the InChIKey of 1-[[4-[5-[4-[(2S)-butan-2-yl]oxy-3,5-difluorophenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-[(2S)-butan-2-yl]oxy-3-fluorophenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-(2,2-dimethylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-(2-methylbutan-2-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid?
The InChIKey is NZGXGBOTVWSSBJ-APAFYBSXSA-N. The full InChI is InChI=1S/2C24H27N3O3.C23H23F2N3O4.C23H24FN3O4.C20H16F3N3O3/c1-24(2,3)12-16-4-10-19(11-5-16)22-25-21(26-30-22)18-8-6-17(7-9-18)13-27-14-20(15-27)23(28)29;1-4-24(2,3)20-11-9-18(10-12-20)22-25-21(26-30-22)17-7-5-16(6-8-17)13-27-14-19(15-27)23(28)29;1-3-13(2)31-20-18(24)8-16(9-19(20)25)22-26-21(27-32-22)15-6-4-14(5-7-15)10-28-11-17(12-28)23(29)30;1-3-14(2)30-20-9-8-17(10-19(20)24)22-25-21(26-31-22)16-6-4-15(5-7-16)11-27-12-18(13-27)23(28)29;21-20(22,23)16-7-5-14(6-8-16)18-24-17(25-29-18)13-3-1-12(2-4-13)9-26-10-15(11-26)19(27)28/h4-11,20H,12-15H2,1-3H3,(H,28,29);5-12,19H,4,13-15H2,1-3H3,(H,28,29);4-9,13,17H,3,10-12H2,1-2H3,(H,29,30);4-10,14,18H,3,11-13H2,1-2H3,(H,28,29);1-8,15H,9-11H2,(H,27,28)/t;;13-;14-;/m..00./s1.
What are the key properties of 1-[[4-[5-[4-[(2S)-butan-2-yl]oxy-3,5-difluorophenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-[(2S)-butan-2-yl]oxy-3-fluorophenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-(2,2-dimethylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-(2-methylbutan-2-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid?
1-[[4-[5-[4-[(2S)-butan-2-yl]oxy-3,5-difluorophenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-[(2S)-butan-2-yl]oxy-3-fluorophenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-(2,2-dimethylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-(2-methylbutan-2-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid has a molecular weight of 2083.27 g/mol, XLogP of 21.67, 34 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[5-[4-[(2S)-butan-2-yl]oxy-3,5-difluorophenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-[(2S)-butan-2-yl]oxy-3-fluorophenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-(2,2-dimethylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-(2-methylbutan-2-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 159928080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).