5-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(3,4-dimethylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;4-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole

C140H118F3N29O9 — CID 157294071

IUPAC5-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(3,4-dimethylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;4-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESCc1ccc(-c2nc(-c3cccnc3)no2)cc1C.Cc1ccc(-c2nc(-c3ccnc(N)c3)no2)cc1C.Cc1ccc(-c2nc(-c3ccncc3C)no2)cc1C.Cc1cccc(-c2nc(-c3cccnc3)no2)c1.Cc1cccc(-c2nc(-c3ccnc(N)c3)no2)c1.Cc1cccc(-c2nc(-c3ccncc3C)no2)c1.Cc1cncc(-c2noc(-c3ccc(C)c(C)c3)n2)c1.Cc1cncc(-c2noc(-c3cccc(C)c3)n2)c1.FC(F)(F)c1cc(-c2nc(-c3cccnc3)no2)ccc1-c1ccccc1
InChIInChI=1S/C20H12F3N3O.2C16H15N3O.C15H14N4O.3C15H13N3O.C14H12N4O.C14H11N3O/c21-20(22,23)17-11-14(8-9-16(17)13-5-2-1-3-6-13)19-25-18(26-27-19)15-7-4-10-24-12-15;1-10-6-14(9-17-8-10)15-18-16(20-19-15)13-5-4-11(2)12(3)7-13;1-10-4-5-13(8-11(10)2)16-18-15(19-20-16)14-6-7-17-9-12(14)3;1-9-3-4-12(7-10(9)2)15-18-14(19-20-15)11-5-6-17-13(16)8-11;1-10-5-6-12(8-11(10)2)15-17-14(18-19-15)13-4-3-7-16-9-13;1-10-4-3-5-12(6-10)15-17-14(18-19-15)13-7-11(2)8-16-9-13;1-10-4-3-5-12(8-10)15-17-14(18-19-15)13-6-7-16-9-11(13)2;1-9-3-2-4-11(7-9)14-17-13(18-19-14)10-5-6-16-12(15)8-10;1-10-4-2-5-11(8-10)14-16-13(17-18-14)12-6-3-7-15-9-12/h1-12H;2*4-9H,1-3H3;3-8H,1-2H3,(H2,16,17);3*3-9H,1-2H3;2-8H,1H3,(H2,15,16);2-9H,1H3
InChIKeyBBDBZCASVJYZQY-UHFFFAOYSA-N
MW2407.67 g/mol
LogP31.97
Rot. Bonds19

About 5-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(3,4-dimethylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;4-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole

5-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(3,4-dimethylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;4-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 157294071) has the molecular formula C140H118F3N29O9 and a molecular weight of 2407.67 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(3,4-dimethylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;4-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(3,4-dimethylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;4-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID157294071
Molecular FormulaC140H118F3N29O9
Molecular Weight2407.67 g/mol
Exact Mass2405.96
IUPAC Name5-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(3,4-dimethylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;4-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESCc1ccc(-c2nc(-c3cccnc3)no2)cc1C.Cc1ccc(-c2nc(-c3ccnc(N)c3)no2)cc1C.Cc1ccc(-c2nc(-c3ccncc3C)no2)cc1C.Cc1cccc(-c2nc(-c3cccnc3)no2)c1.Cc1cccc(-c2nc(-c3ccnc(N)c3)no2)c1.Cc1cccc(-c2nc(-c3ccncc3C)no2)c1.Cc1cncc(-c2noc(-c3ccc(C)c(C)c3)n2)c1.Cc1cncc(-c2noc(-c3cccc(C)c3)n2)c1.FC(F)(F)c1cc(-c2nc(-c3cccnc3)no2)ccc1-c1ccccc1
InChIInChI=1S/C20H12F3N3O.2C16H15N3O.C15H14N4O.3C15H13N3O.C14H12N4O.C14H11N3O/c21-20(22,23)17-11-14(8-9-16(17)13-5-2-1-3-6-13)19-25-18(26-27-19)15-7-4-10-24-12-15;1-10-6-14(9-17-8-10)15-18-16(20-19-15)13-5-4-11(2)12(3)7-13;1-10-4-5-13(8-11(10)2)16-18-15(19-20-16)14-6-7-17-9-12(14)3;1-9-3-4-12(7-10(9)2)15-18-14(19-20-15)11-5-6-17-13(16)8-11;1-10-5-6-12(8-11(10)2)15-17-14(18-19-15)13-4-3-7-16-9-13;1-10-4-3-5-12(6-10)15-17-14(18-19-15)13-7-11(2)8-16-9-13;1-10-4-3-5-12(8-10)15-17-14(18-19-15)13-6-7-16-9-11(13)2;1-9-3-2-4-11(7-9)14-17-13(18-19-14)10-5-6-16-12(15)8-10;1-10-4-2-5-11(8-10)14-16-13(17-18-14)12-6-3-7-15-9-12/h1-12H;2*4-9H,1-3H3;3-8H,1-2H3,(H2,16,17);3*3-9H,1-2H3;2-8H,1H3,(H2,15,16);2-9H,1H3
InChIKeyBBDBZCASVJYZQY-UHFFFAOYSA-N
XLogP31.97
TPSA518.33 Ų
H-Bond Donors2
H-Bond Acceptors38
Rotatable Bonds19
Heavy Atoms181
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002407.67
LogP ≤ 531.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1038

Analyze 5-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(3,4-dimethylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;4-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(3,4-dimethylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;4-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(3,4-dimethylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;4-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole (CID 157294071) is 5-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(3,4-dimethylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;4-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(3,4-dimethylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;4-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(3,4-dimethylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;4-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole is Cc1ccc(-c2nc(-c3cccnc3)no2)cc1C.Cc1ccc(-c2nc(-c3ccnc(N)c3)no2)cc1C.Cc1ccc(-c2nc(-c3ccncc3C)no2)cc1C.Cc1cccc(-c2nc(-c3cccnc3)no2)c1.Cc1cccc(-c2nc(-c3ccnc(N)c3)no2)c1.Cc1cccc(-c2nc(-c3ccncc3C)no2)c1.Cc1cncc(-c2noc(-c3ccc(C)c(C)c3)n2)c1.Cc1cncc(-c2noc(-c3cccc(C)c3)n2)c1.FC(F)(F)c1cc(-c2nc(-c3cccnc3)no2)ccc1-c1ccccc1.
What is the InChIKey of 5-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(3,4-dimethylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;4-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is BBDBZCASVJYZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N3O.2C16H15N3O.C15H14N4O.3C15H13N3O.C14H12N4O.C14H11N3O/c21-20(22,23)17-11-14(8-9-16(17)13-5-2-1-3-6-13)19-25-18(26-27-19)15-7-4-10-24-12-15;1-10-6-14(9-17-8-10)15-18-16(20-19-15)13-5-4-11(2)12(3)7-13;1-10-4-5-13(8-11(10)2)16-18-15(19-20-16)14-6-7-17-9-12(14)3;1-9-3-4-12(7-10(9)2)15-18-14(19-20-15)11-5-6-17-13(16)8-11;1-10-5-6-12(8-11(10)2)15-17-14(18-19-15)13-4-3-7-16-9-13;1-10-4-3-5-12(6-10)15-17-14(18-19-15)13-7-11(2)8-16-9-13;1-10-4-3-5-12(8-10)15-17-14(18-19-15)13-6-7-16-9-11(13)2;1-9-3-2-4-11(7-9)14-17-13(18-19-14)10-5-6-16-12(15)8-10;1-10-4-2-5-11(8-10)14-16-13(17-18-14)12-6-3-7-15-9-12/h1-12H;2*4-9H,1-3H3;3-8H,1-2H3,(H2,16,17);3*3-9H,1-2H3;2-8H,1H3,(H2,15,16);2-9H,1H3.
What are the key properties of 5-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(3,4-dimethylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;4-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
5-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(3,4-dimethylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;4-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 2407.67 g/mol, XLogP of 31.97, 19 rotatable bonds, 2 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(3,4-dimethylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;4-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 157294071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).