5-[3,5-bis(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole;5-[3-bromo-5-(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole;tert-butyl 2-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]piperidine-1-carboxylate;tert-butyl 4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]piperidine-1-carboxylate;5-(3-piperidin-4-ylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-piperidin-2-ylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole

C113H104BrF9N20O10 — CID 158016000

About 5-[3,5-bis(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole;5-[3-bromo-5-(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole;tert-butyl 2-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]piperidine-1-carboxylate;tert-butyl 4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]piperidine-1-carboxylate;5-(3-piperidin-4-ylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-piperidin-2-ylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole

5-[3,5-bis(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole;5-[3-bromo-5-(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole;tert-butyl 2-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]piperidine-1-carboxylate;tert-butyl 4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]piperidine-1-carboxylate;5-(3-piperidin-4-ylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-piperidin-2-ylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 158016000) has the molecular formula C113H104BrF9N20O10 and a molecular weight of 2153.09 g/mol. Its IUPAC name is 5-[3,5-bis(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole;5-[3-bromo-5-(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole;tert-butyl 2-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]piperidine-1-carboxylate;tert-butyl 4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]piperidine-1-carboxylate;5-(3-piperidin-4-ylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-piperidin-2-ylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-[3,5-bis(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole;5-[3-bromo-5-(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole;tert-butyl 2-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]piperidine-1-carboxylate;tert-butyl 4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]piperidine-1-carboxylate;5-(3-piperidin-4-ylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-piperidin-2-ylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
• PubChem CID: 158016000
• Molecular Formula: C113H104BrF9N20O10
• Molecular Weight: 2153.09 g/mol
• Exact Mass: 2150.73
• IUPAC Name: 5-[3,5-bis(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole;5-[3-bromo-5-(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole;tert-butyl 2-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]piperidine-1-carboxylate;tert-butyl 4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]piperidine-1-carboxylate;5-(3-piperidin-4-ylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-piperidin-2-ylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
• SMILES: CC(C)(C)OC(=O)N1CCC(c2cccc(-c3nc(-c4ccncc4)no3)c2)CC1.CC(C)(C)OC(=O)N1CCCCC1c1ccc(-c2nc(-c3ccncc3)no2)cc1.FC(F)(F)c1cc(-c2nc(-c3ccccc3)no2)cc(C(F)(F)F)c1.FC(F)(F)c1cc(Br)cc(-c2nc(-c3ccccc3)no2)c1.c1cc(-c2nc(-c3ccncc3)no2)cc(C2CCNCC2)c1.c1cc(-c2noc(-c3ccc(C4CCCCN4)cc3)n2)ccn1
• InChI: InChI=1S/2C23H26N4O3.2C18H18N4O.C16H8F6N2O.C15H8BrF3N2O/c1-23(2,3)29-22(28)27-13-9-16(10-14-27)18-5-4-6-19(15-18)21-25-20(26-30-21)17-7-11-24-12-8-17;1-23(2,3)29-22(28)27-15-5-4-6-19(27)16-7-9-18(10-8-16)21-25-20(26-30-21)17-11-13-24-14-12-17;1-2-15(13-4-8-19-9-5-13)12-16(3-1)18-21-17(22-23-18)14-6-10-20-11-7-14;1-2-10-20-16(3-1)13-4-6-15(7-5-13)18-21-17(22-23-18)14-8-11-19-12-9-14;17-15(18,19)11-6-10(7-12(8-11)16(20,21)22)14-23-13(24-25-14)9-4-2-1-3-5-9;16-12-7-10(6-11(8-12)15(17,18)19)14-20-13(21-22-14)9-4-2-1-3-5-9/h4-8,11-12,15-16H,9-10,13-14H2,1-3H3;7-14,19H,4-6,15H2,1-3H3;1-3,6-7,10-13,19H,4-5,8-9H2;4-9,11-12,16,20H,1-3,10H2;1-8H;1-8H
• InChIKey: FFLVJQUPRMEZGK-UHFFFAOYSA-N
• XLogP: 27.68
• TPSA: 368.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 28
• Rotatable Bonds: 16
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2153.09
LogP ≤ 5	27.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 5-[3,5-bis(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole;5-[3-bromo-5-(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole;tert-butyl 2-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]piperidine-1-carboxylate;tert-butyl 4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]piperidine-1-carboxylate;5-(3-piperidin-4-ylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-piperidin-2-ylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole?

The IUPAC name of 5-[3,5-bis(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole;5-[3-bromo-5-(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole;tert-butyl 2-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]piperidine-1-carboxylate;tert-butyl 4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]piperidine-1-carboxylate;5-(3-piperidin-4-ylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-piperidin-2-ylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole (CID 158016000) is 5-[3,5-bis(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole;5-[3-bromo-5-(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole;tert-butyl 2-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]piperidine-1-carboxylate;tert-butyl 4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]piperidine-1-carboxylate;5-(3-piperidin-4-ylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-piperidin-2-ylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole.

What is the SMILES notation for 5-[3,5-bis(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole;5-[3-bromo-5-(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole;tert-butyl 2-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]piperidine-1-carboxylate;tert-butyl 4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]piperidine-1-carboxylate;5-(3-piperidin-4-ylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-piperidin-2-ylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole?

The canonical SMILES for 5-[3,5-bis(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole;5-[3-bromo-5-(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole;tert-butyl 2-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]piperidine-1-carboxylate;tert-butyl 4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]piperidine-1-carboxylate;5-(3-piperidin-4-ylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-piperidin-2-ylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole is CC(C)(C)OC(=O)N1CCC(c2cccc(-c3nc(-c4ccncc4)no3)c2)CC1.CC(C)(C)OC(=O)N1CCCCC1c1ccc(-c2nc(-c3ccncc3)no2)cc1.FC(F)(F)c1cc(-c2nc(-c3ccccc3)no2)cc(C(F)(F)F)c1.FC(F)(F)c1cc(Br)cc(-c2nc(-c3ccccc3)no2)c1.c1cc(-c2nc(-c3ccncc3)no2)cc(C2CCNCC2)c1.c1cc(-c2noc(-c3ccc(C4CCCCN4)cc3)n2)ccn1.

What is the InChIKey of 5-[3,5-bis(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole;5-[3-bromo-5-(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole;tert-butyl 2-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]piperidine-1-carboxylate;tert-butyl 4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]piperidine-1-carboxylate;5-(3-piperidin-4-ylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-piperidin-2-ylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole?

The InChIKey is FFLVJQUPRMEZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H26N4O3.2C18H18N4O.C16H8F6N2O.C15H8BrF3N2O/c1-23(2,3)29-22(28)27-13-9-16(10-14-27)18-5-4-6-19(15-18)21-25-20(26-30-21)17-7-11-24-12-8-17;1-23(2,3)29-22(28)27-15-5-4-6-19(27)16-7-9-18(10-8-16)21-25-20(26-30-21)17-11-13-24-14-12-17;1-2-15(13-4-8-19-9-5-13)12-16(3-1)18-21-17(22-23-18)14-6-10-20-11-7-14;1-2-10-20-16(3-1)13-4-6-15(7-5-13)18-21-17(22-23-18)14-8-11-19-12-9-14;17-15(18,19)11-6-10(7-12(8-11)16(20,21)22)14-23-13(24-25-14)9-4-2-1-3-5-9;16-12-7-10(6-11(8-12)15(17,18)19)14-20-13(21-22-14)9-4-2-1-3-5-9/h4-8,11-12,15-16H,9-10,13-14H2,1-3H3;7-14,19H,4-6,15H2,1-3H3;1-3,6-7,10-13,19H,4-5,8-9H2;4-9,11-12,16,20H,1-3,10H2;1-8H;1-8H.

What are the key properties of 5-[3,5-bis(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole;5-[3-bromo-5-(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole;tert-butyl 2-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]piperidine-1-carboxylate;tert-butyl 4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]piperidine-1-carboxylate;5-(3-piperidin-4-ylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-piperidin-2-ylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole?

5-[3,5-bis(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole;5-[3-bromo-5-(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole;tert-butyl 2-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]piperidine-1-carboxylate;tert-butyl 4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]piperidine-1-carboxylate;5-(3-piperidin-4-ylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-piperidin-2-ylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 2153.09 g/mol, XLogP of 27.68, 16 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3,5-bis(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole;5-[3-bromo-5-(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole;tert-butyl 2-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]piperidine-1-carboxylate;tert-butyl 4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]piperidine-1-carboxylate;5-(3-piperidin-4-ylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-piperidin-2-ylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 158016000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).