5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-cyclopentyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1H-indol-4-yl)-1,2,4-oxadiazole;5-(3,5-diethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(3-phenoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(1-phenylpropyl)-3-pyridin-4-yl-1,2,4-oxadiazole

C117H115N21O12 — CID 157319383

About 5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-cyclopentyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1H-indol-4-yl)-1,2,4-oxadiazole;5-(3,5-diethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(3-phenoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(1-phenylpropyl)-3-pyridin-4-yl-1,2,4-oxadiazole

5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-cyclopentyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1H-indol-4-yl)-1,2,4-oxadiazole;5-(3,5-diethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(3-phenoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(1-phenylpropyl)-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 157319383) has the molecular formula C117H115N21O12 and a molecular weight of 2007.34 g/mol. Its IUPAC name is 5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-cyclopentyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1H-indol-4-yl)-1,2,4-oxadiazole;5-(3,5-diethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(3-phenoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(1-phenylpropyl)-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-cyclopentyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1H-indol-4-yl)-1,2,4-oxadiazole;5-(3,5-diethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(3-phenoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(1-phenylpropyl)-3-pyridin-4-yl-1,2,4-oxadiazole
• PubChem CID: 157319383
• Molecular Formula: C117H115N21O12
• Molecular Weight: 2007.34 g/mol
• Exact Mass: 2005.90
• IUPAC Name: 5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-cyclopentyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1H-indol-4-yl)-1,2,4-oxadiazole;5-(3,5-diethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(3-phenoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(1-phenylpropyl)-3-pyridin-4-yl-1,2,4-oxadiazole
• SMILES: CCC(c1ccccc1)c1nc(-c2ccncc2)no1.CCOc1cc(OCC)cc(-c2nc(-c3ccncc3)no2)c1.CCOc1ccc(-c2nc(-c3cccc4[nH]ccc34)no2)cc1OCC.Cc1cnccc1-c1noc(C(C)c2ccc(CC(C)C)cc2)n1.c1cc(-c2noc(C3CCCC3)n2)ccn1.c1cc(-c2noc(C3CCCCC3)n2)ccn1.c1ccc(Oc2cccc(-c3nc(-c4ccncc4)no3)c2)cc1
• InChI: InChI=1S/C20H19N3O3.C20H23N3O.C19H13N3O2.C17H17N3O3.C16H15N3O.C13H15N3O.C12H13N3O/c1-3-24-17-9-8-13(12-18(17)25-4-2)20-22-19(23-26-20)15-6-5-7-16-14(15)10-11-21-16;1-13(2)11-16-5-7-17(8-6-16)15(4)20-22-19(23-24-20)18-9-10-21-12-14(18)3;1-2-6-16(7-3-1)23-17-8-4-5-15(13-17)19-21-18(22-24-19)14-9-11-20-12-10-14;1-3-21-14-9-13(10-15(11-14)22-4-2)17-19-16(20-23-17)12-5-7-18-8-6-12;1-2-14(12-6-4-3-5-7-12)16-18-15(19-20-16)13-8-10-17-11-9-13;1-2-4-11(5-3-1)13-15-12(16-17-13)10-6-8-14-9-7-10;1-2-4-10(3-1)12-14-11(15-16-12)9-5-7-13-8-6-9/h5-12,21H,3-4H2,1-2H3;5-10,12-13,15H,11H2,1-4H3;1-13H;5-11H,3-4H2,1-2H3;3-11,14H,2H2,1H3;6-9,11H,1-5H2;5-8,10H,1-4H2
• InChIKey: BDZGVIVFYHVDOY-UHFFFAOYSA-N
• XLogP: 27.30
• TPSA: 411.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 32
• Rotatable Bonds: 29
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2007.34
LogP ≤ 5	27.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-cyclopentyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1H-indol-4-yl)-1,2,4-oxadiazole;5-(3,5-diethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(3-phenoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(1-phenylpropyl)-3-pyridin-4-yl-1,2,4-oxadiazole?

The IUPAC name of 5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-cyclopentyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1H-indol-4-yl)-1,2,4-oxadiazole;5-(3,5-diethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(3-phenoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(1-phenylpropyl)-3-pyridin-4-yl-1,2,4-oxadiazole (CID 157319383) is 5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-cyclopentyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1H-indol-4-yl)-1,2,4-oxadiazole;5-(3,5-diethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(3-phenoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(1-phenylpropyl)-3-pyridin-4-yl-1,2,4-oxadiazole.

What is the SMILES notation for 5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-cyclopentyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1H-indol-4-yl)-1,2,4-oxadiazole;5-(3,5-diethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(3-phenoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(1-phenylpropyl)-3-pyridin-4-yl-1,2,4-oxadiazole?

The canonical SMILES for 5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-cyclopentyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1H-indol-4-yl)-1,2,4-oxadiazole;5-(3,5-diethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(3-phenoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(1-phenylpropyl)-3-pyridin-4-yl-1,2,4-oxadiazole is CCC(c1ccccc1)c1nc(-c2ccncc2)no1.CCOc1cc(OCC)cc(-c2nc(-c3ccncc3)no2)c1.CCOc1ccc(-c2nc(-c3cccc4[nH]ccc34)no2)cc1OCC.Cc1cnccc1-c1noc(C(C)c2ccc(CC(C)C)cc2)n1.c1cc(-c2noc(C3CCCC3)n2)ccn1.c1cc(-c2noc(C3CCCCC3)n2)ccn1.c1ccc(Oc2cccc(-c3nc(-c4ccncc4)no3)c2)cc1.

What is the InChIKey of 5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-cyclopentyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1H-indol-4-yl)-1,2,4-oxadiazole;5-(3,5-diethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(3-phenoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(1-phenylpropyl)-3-pyridin-4-yl-1,2,4-oxadiazole?

The InChIKey is BDZGVIVFYHVDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3.C20H23N3O.C19H13N3O2.C17H17N3O3.C16H15N3O.C13H15N3O.C12H13N3O/c1-3-24-17-9-8-13(12-18(17)25-4-2)20-22-19(23-26-20)15-6-5-7-16-14(15)10-11-21-16;1-13(2)11-16-5-7-17(8-6-16)15(4)20-22-19(23-24-20)18-9-10-21-12-14(18)3;1-2-6-16(7-3-1)23-17-8-4-5-15(13-17)19-21-18(22-24-19)14-9-11-20-12-10-14;1-3-21-14-9-13(10-15(11-14)22-4-2)17-19-16(20-23-17)12-5-7-18-8-6-12;1-2-14(12-6-4-3-5-7-12)16-18-15(19-20-16)13-8-10-17-11-9-13;1-2-4-11(5-3-1)13-15-12(16-17-13)10-6-8-14-9-7-10;1-2-4-10(3-1)12-14-11(15-16-12)9-5-7-13-8-6-9/h5-12,21H,3-4H2,1-2H3;5-10,12-13,15H,11H2,1-4H3;1-13H;5-11H,3-4H2,1-2H3;3-11,14H,2H2,1H3;6-9,11H,1-5H2;5-8,10H,1-4H2.

What are the key properties of 5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-cyclopentyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1H-indol-4-yl)-1,2,4-oxadiazole;5-(3,5-diethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(3-phenoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(1-phenylpropyl)-3-pyridin-4-yl-1,2,4-oxadiazole?

5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-cyclopentyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1H-indol-4-yl)-1,2,4-oxadiazole;5-(3,5-diethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(3-phenoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(1-phenylpropyl)-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 2007.34 g/mol, XLogP of 27.30, 29 rotatable bonds, 1 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-cyclopentyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1H-indol-4-yl)-1,2,4-oxadiazole;5-(3,5-diethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(3-phenoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(1-phenylpropyl)-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 157319383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).