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

C123H117F15N18O13 — CID 159957565

About 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

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 (PubChem CID 159957565) has the molecular formula C123H117F15N18O13 and a molecular weight of 2340.37 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159957565
• Molecular Formula: C123H117F15N18O13
• Molecular Weight: 2340.37 g/mol
• Exact Mass: 2338.88
• IUPAC Name: 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
• SMILES: CC1CN(Cc2ccc(-c3noc(-c4ccc(OCCF)c(C(F)(F)F)c4)n3)cc2)C1.CC1CN(Cc2ccc(-c3noc(-c4ccc(OCCF)cc4)n3)cc2)C1.CCCNCc1ccc(-c2noc(-c3ccc(OCCF)c(C#N)c3)n2)cc1.CCCOc1ccc(-c2noc(-c3ccc(OCCF)c(C(F)(F)F)c3)n2)cc1.CCNCc1ccc(-c2noc(-c3ccc(OCCF)c(C#N)c3)n2)cc1.CCc1ccc(-c2noc(-c3ccc(OCCF)c(C(F)(F)F)c3)n2)cc1
• InChI: InChI=1S/C22H21F4N3O2.C21H21FN4O2.C21H22FN3O2.C20H18F4N2O3.C20H19FN4O2.C19H16F4N2O2/c1-14-11-29(12-14)13-15-2-4-16(5-3-15)20-27-21(31-28-20)17-6-7-19(30-9-8-23)18(10-17)22(24,25)26;1-2-10-24-14-15-3-5-16(6-4-15)20-25-21(28-26-20)17-7-8-19(27-11-9-22)18(12-17)13-23;1-15-12-25(13-15)14-16-2-4-17(5-3-16)20-23-21(27-24-20)18-6-8-19(9-7-18)26-11-10-22;1-2-10-27-15-6-3-13(4-7-15)18-25-19(29-26-18)14-5-8-17(28-11-9-21)16(12-14)20(22,23)24;1-2-23-13-14-3-5-15(6-4-14)19-24-20(27-25-19)16-7-8-18(26-10-9-21)17(11-16)12-22;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/h2-7,10,14H,8-9,11-13H2,1H3;3-8,12,24H,2,9-11,14H2,1H3;2-9,15H,10-14H2,1H3;3-8,12H,2,9-11H2,1H3;3-8,11,23H,2,9-10,13H2,1H3;3-8,11H,2,9-10H2,1H3
• InChIKey: OCXHHYKNCDXRQV-UHFFFAOYSA-N
• XLogP: 28.17
• TPSA: 376.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 31
• Rotatable Bonds: 45
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2340.37
LogP ≤ 5	28.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC1CN(Cc2ccc(-c3noc(-c4ccc(OCCF)c(C(F)(F)F)c4)n3)cc2)C1.CC1CN(Cc2ccc(-c3noc(-c4ccc(OCCF)cc4)n3)cc2)C1.CCCNCc1ccc(-c2noc(-c3ccc(OCCF)c(C#N)c3)n2)cc1.CCCOc1ccc(-c2noc(-c3ccc(OCCF)c(C(F)(F)F)c3)n2)cc1.CCNCc1ccc(-c2noc(-c3ccc(OCCF)c(C#N)c3)n2)cc1.CCc1ccc(-c2noc(-c3ccc(OCCF)c(C(F)(F)F)c3)n2)cc1.

What is the InChIKey of 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?

The InChIKey is OCXHHYKNCDXRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F4N3O2.C21H21FN4O2.C21H22FN3O2.C20H18F4N2O3.C20H19FN4O2.C19H16F4N2O2/c1-14-11-29(12-14)13-15-2-4-16(5-3-15)20-27-21(31-28-20)17-6-7-19(30-9-8-23)18(10-17)22(24,25)26;1-2-10-24-14-15-3-5-16(6-4-15)20-25-21(28-26-20)17-7-8-19(27-11-9-22)18(12-17)13-23;1-15-12-25(13-15)14-16-2-4-17(5-3-16)20-23-21(27-24-20)18-6-8-19(9-7-18)26-11-10-22;1-2-10-27-15-6-3-13(4-7-15)18-25-19(29-26-18)14-5-8-17(28-11-9-21)16(12-14)20(22,23)24;1-2-23-13-14-3-5-15(6-4-14)19-24-20(27-25-19)16-7-8-18(26-10-9-21)17(11-16)12-22;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/h2-7,10,14H,8-9,11-13H2,1H3;3-8,12,24H,2,9-11,14H2,1H3;2-9,15H,10-14H2,1H3;3-8,12H,2,9-11H2,1H3;3-8,11,23H,2,9-10,13H2,1H3;3-8,11H,2,9-10H2,1H3.

What are the key properties of 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?

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 has a molecular weight of 2340.37 g/mol, XLogP of 28.17, 45 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159957565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).