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

C93H77F9N20O9 — CID 157121213

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

5-(3-ethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;4-[5-(3-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3-ethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;3-(3-methyl-4-pyridinyl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(5-methyl-3-pyridinyl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;4-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine (PubChem CID 157121213) has the molecular formula C93H77F9N20O9 and a molecular weight of 1789.75 g/mol. Its IUPAC name is 5-(3-ethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;4-[5-(3-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3-ethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;3-(3-methyl-4-pyridinyl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(5-methyl-3-pyridinyl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;4-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: 5-(3-ethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;4-[5-(3-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3-ethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;3-(3-methyl-4-pyridinyl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(5-methyl-3-pyridinyl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;4-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
• PubChem CID: 157121213
• Molecular Formula: C93H77F9N20O9
• Molecular Weight: 1789.75 g/mol
• Exact Mass: 1788.60
• IUPAC Name: 5-(3-ethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;4-[5-(3-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3-ethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;3-(3-methyl-4-pyridinyl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(5-methyl-3-pyridinyl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;4-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
• SMILES: CCOc1cccc(-c2nc(-c3cccnc3)no2)c1.CCOc1cccc(-c2nc(-c3ccnc(N)c3)no2)c1.CCOc1cccc(-c2nc(-c3cncc(C)c3)no2)c1.Cc1ccc(-c2nc(-c3ccnc(N)c3)no2)cc1C(F)(F)F.Cc1cncc(-c2noc(-c3ccc(C)c(C(F)(F)F)c3)n2)c1.Cc1cnccc1-c1noc(-c2ccc(C)c(C(F)(F)F)c2)n1
• InChI: InChI=1S/2C16H12F3N3O.C16H15N3O2.C15H11F3N4O.C15H14N4O2.C15H13N3O2/c1-9-5-12(8-20-7-9)14-21-15(23-22-14)11-4-3-10(2)13(6-11)16(17,18)19;1-9-3-4-11(7-13(9)16(17,18)19)15-21-14(22-23-15)12-5-6-20-8-10(12)2;1-3-20-14-6-4-5-12(8-14)16-18-15(19-21-16)13-7-11(2)9-17-10-13;1-8-2-3-10(6-11(8)15(16,17)18)14-21-13(22-23-14)9-4-5-20-12(19)7-9;1-2-20-12-5-3-4-11(8-12)15-18-14(19-21-15)10-6-7-17-13(16)9-10;1-2-19-13-7-3-5-11(9-13)15-17-14(18-20-15)12-6-4-8-16-10-12/h2*3-8H,1-2H3;4-10H,3H2,1-2H3;2-7H,1H3,(H2,19,20);3-9H,2H2,1H3,(H2,16,17);3-10H,2H2,1H3
• InChIKey: AHZMTFVRMBVSGZ-UHFFFAOYSA-N
• XLogP: 22.06
• TPSA: 390.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 29
• Rotatable Bonds: 18
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1789.75
LogP ≤ 5	22.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;4-[5-(3-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3-ethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;3-(3-methyl-4-pyridinyl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(5-methyl-3-pyridinyl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;4-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine?

The IUPAC name of 5-(3-ethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;4-[5-(3-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3-ethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;3-(3-methyl-4-pyridinyl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(5-methyl-3-pyridinyl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;4-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine (CID 157121213) is 5-(3-ethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;4-[5-(3-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3-ethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;3-(3-methyl-4-pyridinyl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(5-methyl-3-pyridinyl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;4-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine.

What is the SMILES notation for 5-(3-ethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;4-[5-(3-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3-ethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;3-(3-methyl-4-pyridinyl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(5-methyl-3-pyridinyl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;4-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine?

The canonical SMILES for 5-(3-ethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;4-[5-(3-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3-ethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;3-(3-methyl-4-pyridinyl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(5-methyl-3-pyridinyl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;4-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine is CCOc1cccc(-c2nc(-c3cccnc3)no2)c1.CCOc1cccc(-c2nc(-c3ccnc(N)c3)no2)c1.CCOc1cccc(-c2nc(-c3cncc(C)c3)no2)c1.Cc1ccc(-c2nc(-c3ccnc(N)c3)no2)cc1C(F)(F)F.Cc1cncc(-c2noc(-c3ccc(C)c(C(F)(F)F)c3)n2)c1.Cc1cnccc1-c1noc(-c2ccc(C)c(C(F)(F)F)c2)n1.

What is the InChIKey of 5-(3-ethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;4-[5-(3-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3-ethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;3-(3-methyl-4-pyridinyl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(5-methyl-3-pyridinyl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;4-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine?

The InChIKey is AHZMTFVRMBVSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H12F3N3O.C16H15N3O2.C15H11F3N4O.C15H14N4O2.C15H13N3O2/c1-9-5-12(8-20-7-9)14-21-15(23-22-14)11-4-3-10(2)13(6-11)16(17,18)19;1-9-3-4-11(7-13(9)16(17,18)19)15-21-14(22-23-15)12-5-6-20-8-10(12)2;1-3-20-14-6-4-5-12(8-14)16-18-15(19-21-16)13-7-11(2)9-17-10-13;1-8-2-3-10(6-11(8)15(16,17)18)14-21-13(22-23-14)9-4-5-20-12(19)7-9;1-2-20-12-5-3-4-11(8-12)15-18-14(19-21-15)10-6-7-17-13(16)9-10;1-2-19-13-7-3-5-11(9-13)15-17-14(18-20-15)12-6-4-8-16-10-12/h2*3-8H,1-2H3;4-10H,3H2,1-2H3;2-7H,1H3,(H2,19,20);3-9H,2H2,1H3,(H2,16,17);3-10H,2H2,1H3.

What are the key properties of 5-(3-ethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;4-[5-(3-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3-ethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;3-(3-methyl-4-pyridinyl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(5-methyl-3-pyridinyl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;4-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine?

5-(3-ethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;4-[5-(3-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3-ethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;3-(3-methyl-4-pyridinyl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(5-methyl-3-pyridinyl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;4-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine has a molecular weight of 1789.75 g/mol, XLogP of 22.06, 18 rotatable bonds, 2 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-ethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;4-[5-(3-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3-ethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;3-(3-methyl-4-pyridinyl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(5-methyl-3-pyridinyl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;4-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 157121213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).