5-(3-tert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;N,N-dimethyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;N,N-dimethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;3-fluoro-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzonitrile;5-naphthalen-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)benzonitrile;3-pyridin-4-yl-5-(3-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole;3-pyridin-4-yl-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole

C127H102F4N30O8 — CID 157194248

About 5-(3-tert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;N,N-dimethyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;N,N-dimethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;3-fluoro-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzonitrile;5-naphthalen-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)benzonitrile;3-pyridin-4-yl-5-(3-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole;3-pyridin-4-yl-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole

5-(3-tert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;N,N-dimethyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;N,N-dimethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;3-fluoro-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzonitrile;5-naphthalen-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)benzonitrile;3-pyridin-4-yl-5-(3-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole;3-pyridin-4-yl-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole (PubChem CID 157194248) has the molecular formula C127H102F4N30O8 and a molecular weight of 2252.41 g/mol. Its IUPAC name is 5-(3-tert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;N,N-dimethyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;N,N-dimethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;3-fluoro-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzonitrile;5-naphthalen-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)benzonitrile;3-pyridin-4-yl-5-(3-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole;3-pyridin-4-yl-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-(3-tert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;N,N-dimethyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;N,N-dimethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;3-fluoro-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzonitrile;5-naphthalen-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)benzonitrile;3-pyridin-4-yl-5-(3-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole;3-pyridin-4-yl-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole
• PubChem CID: 157194248
• Molecular Formula: C127H102F4N30O8
• Molecular Weight: 2252.41 g/mol
• Exact Mass: 2250.84
• IUPAC Name: 5-(3-tert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;N,N-dimethyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;N,N-dimethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;3-fluoro-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzonitrile;5-naphthalen-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)benzonitrile;3-pyridin-4-yl-5-(3-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole;3-pyridin-4-yl-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole
• SMILES: CC(C)(C)c1cccc(-c2nc(-c3ccncc3)no2)c1.CN(C)c1ccc(-c2nc(-c3ccncc3)no2)cc1.CN(C)c1cccc(-c2nc(-c3ccncc3)no2)c1.N#Cc1cc(-c2nc(-c3ccncc3)no2)cc(C(F)(F)F)c1.N#Cc1cc(F)cc(-c2nc(-c3ccncc3)no2)c1.c1cc(-c2nc(-c3ccncc3)no2)cc(N2CCCC2)c1.c1cc(-c2noc(-c3ccc(N4CCCC4)cc3)n2)ccn1.c1ccc2cc(-c3nc(-c4ccncc4)no3)ccc2c1
• InChI: InChI=1S/2C17H16N4O.C17H11N3O.C17H17N3O.C15H7F3N4O.2C15H14N4O.C14H7FN4O/c1-2-12-21(11-1)15-5-3-14(4-6-15)17-19-16(20-22-17)13-7-9-18-10-8-13;1-2-11-21(10-1)15-5-3-4-14(12-15)17-19-16(20-22-17)13-6-8-18-9-7-13;1-2-4-14-11-15(6-5-12(14)3-1)17-19-16(20-21-17)13-7-9-18-10-8-13;1-17(2,3)14-6-4-5-13(11-14)16-19-15(20-21-16)12-7-9-18-10-8-12;16-15(17,18)12-6-9(8-19)5-11(7-12)14-21-13(22-23-14)10-1-3-20-4-2-10;1-19(2)13-5-3-12(4-6-13)15-17-14(18-20-15)11-7-9-16-10-8-11;1-19(2)13-5-3-4-12(10-13)15-17-14(18-20-15)11-6-8-16-9-7-11;15-12-6-9(8-16)5-11(7-12)14-18-13(19-20-14)10-1-3-17-4-2-10/h3-10H,1-2,11-12H2;3-9,12H,1-2,10-11H2;1-11H;4-11H,1-3H3;1-7H;2*3-10H,1-2H3;1-7H
• InChIKey: AQBBMRDHSHJYQT-UHFFFAOYSA-N
• XLogP: 27.07
• TPSA: 475.02 Ų
• H-Bond Acceptors: 38
• Rotatable Bonds: 20
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2252.41
LogP ≤ 5	27.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 5-(3-tert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;N,N-dimethyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;N,N-dimethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;3-fluoro-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzonitrile;5-naphthalen-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)benzonitrile;3-pyridin-4-yl-5-(3-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole;3-pyridin-4-yl-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole?

The IUPAC name of 5-(3-tert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;N,N-dimethyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;N,N-dimethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;3-fluoro-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzonitrile;5-naphthalen-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)benzonitrile;3-pyridin-4-yl-5-(3-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole;3-pyridin-4-yl-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole (CID 157194248) is 5-(3-tert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;N,N-dimethyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;N,N-dimethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;3-fluoro-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzonitrile;5-naphthalen-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)benzonitrile;3-pyridin-4-yl-5-(3-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole;3-pyridin-4-yl-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole.

What is the SMILES notation for 5-(3-tert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;N,N-dimethyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;N,N-dimethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;3-fluoro-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzonitrile;5-naphthalen-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)benzonitrile;3-pyridin-4-yl-5-(3-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole;3-pyridin-4-yl-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole?

The canonical SMILES for 5-(3-tert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;N,N-dimethyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;N,N-dimethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;3-fluoro-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzonitrile;5-naphthalen-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)benzonitrile;3-pyridin-4-yl-5-(3-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole;3-pyridin-4-yl-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole is CC(C)(C)c1cccc(-c2nc(-c3ccncc3)no2)c1.CN(C)c1ccc(-c2nc(-c3ccncc3)no2)cc1.CN(C)c1cccc(-c2nc(-c3ccncc3)no2)c1.N#Cc1cc(-c2nc(-c3ccncc3)no2)cc(C(F)(F)F)c1.N#Cc1cc(F)cc(-c2nc(-c3ccncc3)no2)c1.c1cc(-c2nc(-c3ccncc3)no2)cc(N2CCCC2)c1.c1cc(-c2noc(-c3ccc(N4CCCC4)cc3)n2)ccn1.c1ccc2cc(-c3nc(-c4ccncc4)no3)ccc2c1.

What is the InChIKey of 5-(3-tert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;N,N-dimethyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;N,N-dimethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;3-fluoro-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzonitrile;5-naphthalen-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)benzonitrile;3-pyridin-4-yl-5-(3-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole;3-pyridin-4-yl-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole?

The InChIKey is AQBBMRDHSHJYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H16N4O.C17H11N3O.C17H17N3O.C15H7F3N4O.2C15H14N4O.C14H7FN4O/c1-2-12-21(11-1)15-5-3-14(4-6-15)17-19-16(20-22-17)13-7-9-18-10-8-13;1-2-11-21(10-1)15-5-3-4-14(12-15)17-19-16(20-22-17)13-6-8-18-9-7-13;1-2-4-14-11-15(6-5-12(14)3-1)17-19-16(20-21-17)13-7-9-18-10-8-13;1-17(2,3)14-6-4-5-13(11-14)16-19-15(20-21-16)12-7-9-18-10-8-12;16-15(17,18)12-6-9(8-19)5-11(7-12)14-21-13(22-23-14)10-1-3-20-4-2-10;1-19(2)13-5-3-12(4-6-13)15-17-14(18-20-15)11-7-9-16-10-8-11;1-19(2)13-5-3-4-12(10-13)15-17-14(18-20-15)11-6-8-16-9-7-11;15-12-6-9(8-16)5-11(7-12)14-18-13(19-20-14)10-1-3-17-4-2-10/h3-10H,1-2,11-12H2;3-9,12H,1-2,10-11H2;1-11H;4-11H,1-3H3;1-7H;2*3-10H,1-2H3;1-7H.

What are the key properties of 5-(3-tert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;N,N-dimethyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;N,N-dimethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;3-fluoro-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzonitrile;5-naphthalen-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)benzonitrile;3-pyridin-4-yl-5-(3-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole;3-pyridin-4-yl-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole?

5-(3-tert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;N,N-dimethyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;N,N-dimethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;3-fluoro-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzonitrile;5-naphthalen-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)benzonitrile;3-pyridin-4-yl-5-(3-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole;3-pyridin-4-yl-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole has a molecular weight of 2252.41 g/mol, XLogP of 27.07, 20 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-tert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;N,N-dimethyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;N,N-dimethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;3-fluoro-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzonitrile;5-naphthalen-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)benzonitrile;3-pyridin-4-yl-5-(3-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole;3-pyridin-4-yl-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 157194248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).