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

C134H141F18N13O21 — CID 158956522

About 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

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 (PubChem CID 158956522) has the molecular formula C134H141F18N13O21 and a molecular weight of 2611.64 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;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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158956522
• Molecular Formula: C134H141F18N13O21
• Molecular Weight: 2611.64 g/mol
• Exact Mass: 2610.01
• IUPAC Name: 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
• SMILES: 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.OCC(CO)CCc1ccc(-c2noc(-c3ccc(OCCF)c(C(F)(F)F)c3)n2)cc1
• InChI: InChI=1S/C25H31FN2O5.C23H23F4N3O2.C23H27FN2O4.C22H22F4N2O4.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;1-3-11-27-13-14-28-16-18-4-6-19(7-5-18)22-25-23(30-26-22)20-8-9-21(17(2)15-20)29-12-10-24;23-9-10-31-19-8-7-17(11-18(19)22(24,25)26)21-27-20(28-32-21)16-5-3-14(4-6-16)1-2-15(12-29)13-30;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;4-9,15H,3,10-14,16H2,1-2H3;3-8,11,15,29-30H,1-2,9-10,12-13H2;3-8,12H,2,9-11,13H2,1H3;3-8,11,16,27H,2,9-10H2,1H3
• InChIKey: JMBMDFAHIIKBTJ-UHFFFAOYSA-N
• XLogP: 30.85
• TPSA: 408.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 34
• Rotatable Bonds: 61
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2611.64
LogP ≤ 5	30.85
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	34

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;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?

The IUPAC name of 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) is 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.

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;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?

The canonical SMILES for 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 is 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.OCC(CO)CCc1ccc(-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;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?

The InChIKey is JMBMDFAHIIKBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN2O5.C23H23F4N3O2.C23H27FN2O4.C22H22F4N2O4.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;1-3-11-27-13-14-28-16-18-4-6-19(7-5-18)22-25-23(30-26-22)20-8-9-21(17(2)15-20)29-12-10-24;23-9-10-31-19-8-7-17(11-18(19)22(24,25)26)21-27-20(28-32-21)16-5-3-14(4-6-16)1-2-15(12-29)13-30;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;4-9,15H,3,10-14,16H2,1-2H3;3-8,11,15,29-30H,1-2,9-10,12-13H2;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;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?

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 has a molecular weight of 2611.64 g/mol, XLogP of 30.85, 61 rotatable bonds, 3 hydrogen bond donors, and 34 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;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 is sourced from PubChem (CID 158956522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).