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)

C145H129F28N15O18 — CID 160696741

About 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)

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) (PubChem CID 160696741) has the molecular formula C145H129F28N15O18 and a molecular weight of 2901.66 g/mol. Its IUPAC name is 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).

Molecular Properties

• Compound Name: 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)
• PubChem CID: 160696741
• Molecular Formula: C145H129F28N15O18
• Molecular Weight: 2901.66 g/mol
• Exact Mass: 2899.92
• IUPAC Name: 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)
• SMILES: CC1CN(c2cccc(-c3noc(-c4ccc(OCCF)c(C(F)(F)F)c4)n3)c2)C1.CCC(=O)c1ccc(-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.CCC(CO)CCc1ccc(-c2noc(-c3ccc(OCCF)c(C(F)(F)F)c3)n2)cc1.CCCCC(=O)c1ccc(-c2noc(-c3ccc(OCCF)c(C(F)(F)F)c3)n2)cc1.CCc1ccc(-c2noc(-c3ccc(OCCCF)c(C(F)(F)F)c3)n2)cc1.CCc1ccc(-c2noc(-c3ccc(OCCF)c(C(F)(F)F)c3)n2)cc1
• InChI: InChI=1S/C23H24F4N2O3.C22H20F4N2O3.C21H19F4N3O2.2C20H16F4N2O3.C20H18F4N2O2.C19H16F4N2O2/c1-2-15(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;1-2-3-4-18(29)14-5-7-15(8-6-14)20-27-21(31-28-20)16-9-10-19(30-12-11-23)17(13-16)22(24,25)26;1-13-11-28(12-13)16-4-2-3-14(9-16)19-26-20(30-27-19)15-5-6-18(29-8-7-22)17(10-15)21(23,24)25;2*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;1-2-13-4-6-14(7-5-13)18-25-19(28-26-18)15-8-9-17(27-11-3-10-21)16(12-15)20(22,23)24;1-2-12-3-5-13(6-4-12)17-24-18(27-25-17)14-7-8-16(26-10-9-20)15(11-14)19(21,22)23/h5-10,13,15,30H,2-4,11-12,14H2,1H3;5-10,13H,2-4,11-12H2,1H3;2-6,9-10,13H,7-8,11-12H2,1H3;2*3-8,11H,2,9-10H2,1H3;4-9,12H,2-3,10-11H2,1H3;3-8,11H,2,9-10H2,1H3
• InChIKey: RQCCAXRVDHSPSJ-UHFFFAOYSA-N
• XLogP: 38.88
• TPSA: 411.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 33
• Rotatable Bonds: 52
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2901.66
LogP ≤ 5	38.88
H-Bond Donors ≤ 5	1
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 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)?

The IUPAC name of 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) is 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).

What is the SMILES notation for 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)?

The canonical SMILES for 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) is CC1CN(c2cccc(-c3noc(-c4ccc(OCCF)c(C(F)(F)F)c4)n3)c2)C1.CCC(=O)c1ccc(-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.CCC(CO)CCc1ccc(-c2noc(-c3ccc(OCCF)c(C(F)(F)F)c3)n2)cc1.CCCCC(=O)c1ccc(-c2noc(-c3ccc(OCCF)c(C(F)(F)F)c3)n2)cc1.CCc1ccc(-c2noc(-c3ccc(OCCCF)c(C(F)(F)F)c3)n2)cc1.CCc1ccc(-c2noc(-c3ccc(OCCF)c(C(F)(F)F)c3)n2)cc1.

What is the InChIKey of 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)?

The InChIKey is RQCCAXRVDHSPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F4N2O3.C22H20F4N2O3.C21H19F4N3O2.2C20H16F4N2O3.C20H18F4N2O2.C19H16F4N2O2/c1-2-15(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;1-2-3-4-18(29)14-5-7-15(8-6-14)20-27-21(31-28-20)16-9-10-19(30-12-11-23)17(13-16)22(24,25)26;1-13-11-28(12-13)16-4-2-3-14(9-16)19-26-20(30-27-19)15-5-6-18(29-8-7-22)17(10-15)21(23,24)25;2*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;1-2-13-4-6-14(7-5-13)18-25-19(28-26-18)15-8-9-17(27-11-3-10-21)16(12-15)20(22,23)24;1-2-12-3-5-13(6-4-12)17-24-18(27-25-17)14-7-8-16(26-10-9-20)15(11-14)19(21,22)23/h5-10,13,15,30H,2-4,11-12,14H2,1H3;5-10,13H,2-4,11-12H2,1H3;2-6,9-10,13H,7-8,11-12H2,1H3;2*3-8,11H,2,9-10H2,1H3;4-9,12H,2-3,10-11H2,1H3;3-8,11H,2,9-10H2,1H3.

What are the key properties of 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)?

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) has a molecular weight of 2901.66 g/mol, XLogP of 38.88, 52 rotatable bonds, 1 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 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) is sourced from PubChem (CID 160696741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).