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

C135H143F18N13O20 — CID 158432532

About 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

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 (PubChem CID 158432532) has the molecular formula C135H143F18N13O20 and a molecular weight of 2609.66 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158432532
• Molecular Formula: C135H143F18N13O20
• Molecular Weight: 2609.66 g/mol
• Exact Mass: 2608.03
• IUPAC Name: 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
• SMILES: CCC(CO)CCc1ccc(-c2noc(-c3ccc(OCCF)c(C(F)(F)F)c3)n2)cc1.CCC(O)c1ccc(-c2noc(-c3ccc(OCCF)c(C(F)(F)F)c3)n2)cc1.CCC1CN(Cc2ccc(-c3noc(-c4ccc(OCCF)c(C(F)(F)F)c4)n3)cc2)C1.CCCOCCOCCOCc1ccc(-c2noc(-c3ccc(OCCF)c(C)c3)n2)cc1.CCCOCCOCc1ccc(-c2noc(-c3ccc(OCCF)c(C)c3)n2)cc1.CCCOCc1ccc(-c2noc(-c3ccc(OCCF)c(C(F)(F)F)c3)n2)cc1
• InChI: InChI=1S/C25H31FN2O5.C23H23F4N3O2.C23H24F4N2O3.C23H27FN2O4.C21H20F4N2O3.C20H18F4N2O3/c1-3-11-29-13-14-30-15-16-31-18-20-4-6-21(7-5-20)24-27-25(33-28-24)22-8-9-23(19(2)17-22)32-12-10-26;1-2-15-12-30(13-15)14-16-3-5-17(6-4-16)21-28-22(32-29-21)18-7-8-20(31-10-9-24)19(11-18)23(25,26)27;1-2-15(14-30)3-4-16-5-7-17(8-6-16)21-28-22(32-29-21)18-9-10-20(31-12-11-24)19(13-18)23(25,26)27;1-3-11-27-13-14-28-16-18-4-6-19(7-5-18)22-25-23(30-26-22)20-8-9-21(17(2)15-20)29-12-10-24;1-2-10-28-13-14-3-5-15(6-4-14)19-26-20(30-27-19)16-7-8-18(29-11-9-22)17(12-16)21(23,24)25;1-2-16(27)12-3-5-13(6-4-12)18-25-19(29-26-18)14-7-8-17(28-10-9-21)15(11-14)20(22,23)24/h4-9,17H,3,10-16,18H2,1-2H3;3-8,11,15H,2,9-10,12-14H2,1H3;5-10,13,15,30H,2-4,11-12,14H2,1H3;4-9,15H,3,10-14,16H2,1-2H3;3-8,12H,2,9-11,13H2,1H3;3-8,11,16,27H,2,9-10H2,1H3
• InChIKey: HBVGRRYMLARIOK-UHFFFAOYSA-N
• XLogP: 32.27
• TPSA: 387.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 33
• Rotatable Bonds: 61
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2609.66
LogP ≤ 5	32.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCC(CO)CCc1ccc(-c2noc(-c3ccc(OCCF)c(C(F)(F)F)c3)n2)cc1.CCC(O)c1ccc(-c2noc(-c3ccc(OCCF)c(C(F)(F)F)c3)n2)cc1.CCC1CN(Cc2ccc(-c3noc(-c4ccc(OCCF)c(C(F)(F)F)c4)n3)cc2)C1.CCCOCCOCCOCc1ccc(-c2noc(-c3ccc(OCCF)c(C)c3)n2)cc1.CCCOCCOCc1ccc(-c2noc(-c3ccc(OCCF)c(C)c3)n2)cc1.CCCOCc1ccc(-c2noc(-c3ccc(OCCF)c(C(F)(F)F)c3)n2)cc1.

What is the InChIKey of 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?

The InChIKey is HBVGRRYMLARIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN2O5.C23H23F4N3O2.C23H24F4N2O3.C23H27FN2O4.C21H20F4N2O3.C20H18F4N2O3/c1-3-11-29-13-14-30-15-16-31-18-20-4-6-21(7-5-20)24-27-25(33-28-24)22-8-9-23(19(2)17-22)32-12-10-26;1-2-15-12-30(13-15)14-16-3-5-17(6-4-16)21-28-22(32-29-21)18-7-8-20(31-10-9-24)19(11-18)23(25,26)27;1-2-15(14-30)3-4-16-5-7-17(8-6-16)21-28-22(32-29-21)18-9-10-20(31-12-11-24)19(13-18)23(25,26)27;1-3-11-27-13-14-28-16-18-4-6-19(7-5-18)22-25-23(30-26-22)20-8-9-21(17(2)15-20)29-12-10-24;1-2-10-28-13-14-3-5-15(6-4-14)19-26-20(30-27-19)16-7-8-18(29-11-9-22)17(12-16)21(23,24)25;1-2-16(27)12-3-5-13(6-4-12)18-25-19(29-26-18)14-7-8-17(28-10-9-21)15(11-14)20(22,23)24/h4-9,17H,3,10-16,18H2,1-2H3;3-8,11,15H,2,9-10,12-14H2,1H3;5-10,13,15,30H,2-4,11-12,14H2,1H3;4-9,15H,3,10-14,16H2,1-2H3;3-8,12H,2,9-11,13H2,1H3;3-8,11,16,27H,2,9-10H2,1H3.

What are the key properties of 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?

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 has a molecular weight of 2609.66 g/mol, XLogP of 32.27, 61 rotatable bonds, 2 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 158432532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).