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;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 — IUPAC name, SMILES, InChIKey & properties

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;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 Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

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;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;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 158580540) has the molecular formula C90H78BrF9N16O7 and a molecular weight of 1746.60 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;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;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	158580540
Molecular Formula	C90H78BrF9N16O7
Molecular Weight	1746.60 g/mol
Exact Mass	1744.53
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;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)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/C23H26N4O3.2C18H18N4O.C16H8F6N2O.C15H8BrF3N2O/c1-23(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/h7-14,19H,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	HTEXCWXIQRVISY-UHFFFAOYSA-N
XLogP	22.77
TPSA	286.87 Å²
H-Bond Donors	2
H-Bond Acceptors	22
Rotatable Bonds	13
Heavy Atoms	123
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1746.60
LogP ≤ 5	22.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Analyze 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;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 with MolForge

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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;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;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 158580540) 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;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;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;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)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;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 HTEXCWXIQRVISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3.2C18H18N4O.C16H8F6N2O.C15H8BrF3N2O/c1-23(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/h7-14,19H,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;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?

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;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 158580540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).