2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2-oxazole;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine

C70H71N11O11 — CID 158881171

About 2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2-oxazole;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine

2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2-oxazole;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine (PubChem CID 158881171) has the molecular formula C70H71N11O11 and a molecular weight of 1242.40 g/mol. Its IUPAC name is 2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2-oxazole;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine.

Molecular Properties

• Compound Name: 2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2-oxazole;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine
• PubChem CID: 158881171
• Molecular Formula: C70H71N11O11
• Molecular Weight: 1242.40 g/mol
• Exact Mass: 1241.53
• IUPAC Name: 2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2-oxazole;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine
• SMILES: CCOc1ccc(-c2cc(-c3ccncc3)no2)cc1OCC.CCOc1ccc(-c2n[nH]c(-c3ccncc3)n2)cc1OCC.CCOc1ccc(-c2ncc(-c3ccncc3)o2)cc1OCC.CCOc1ccc(-c2nnc(-c3ccncc3)o2)cc1OCC
• InChI: InChI=1S/2C18H18N2O3.C17H18N4O2.C17H17N3O3/c1-3-21-16-6-5-14(11-18(16)22-4-2)17-12-15(20-23-17)13-7-9-19-10-8-13;1-3-21-15-6-5-14(11-16(15)22-4-2)18-20-12-17(23-18)13-7-9-19-10-8-13;1-3-22-14-6-5-13(11-15(14)23-4-2)17-19-16(20-21-17)12-7-9-18-10-8-12;1-3-21-14-6-5-13(11-15(14)22-4-2)17-20-19-16(23-17)12-7-9-18-10-8-12/h2*5-12H,3-4H2,1-2H3;5-11H,3-4H2,1-2H3,(H,19,20,21);5-11H,3-4H2,1-2H3
• InChIKey: JDASYUHYUCTLBS-UHFFFAOYSA-N
• XLogP: 15.33
• TPSA: 257.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 21
• Rotatable Bonds: 24
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1242.40
LogP ≤ 5	15.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2-oxazole;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine?

The IUPAC name of 2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2-oxazole;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine (CID 158881171) is 2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2-oxazole;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine.

What is the SMILES notation for 2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2-oxazole;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine?

The canonical SMILES for 2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2-oxazole;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine is CCOc1ccc(-c2cc(-c3ccncc3)no2)cc1OCC.CCOc1ccc(-c2n[nH]c(-c3ccncc3)n2)cc1OCC.CCOc1ccc(-c2ncc(-c3ccncc3)o2)cc1OCC.CCOc1ccc(-c2nnc(-c3ccncc3)o2)cc1OCC.

What is the InChIKey of 2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2-oxazole;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine?

The InChIKey is JDASYUHYUCTLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H18N2O3.C17H18N4O2.C17H17N3O3/c1-3-21-16-6-5-14(11-18(16)22-4-2)17-12-15(20-23-17)13-7-9-19-10-8-13;1-3-21-15-6-5-14(11-16(15)22-4-2)18-20-12-17(23-18)13-7-9-19-10-8-13;1-3-22-14-6-5-13(11-15(14)23-4-2)17-19-16(20-21-17)12-7-9-18-10-8-12;1-3-21-14-6-5-13(11-15(14)22-4-2)17-20-19-16(23-17)12-7-9-18-10-8-12/h2*5-12H,3-4H2,1-2H3;5-11H,3-4H2,1-2H3,(H,19,20,21);5-11H,3-4H2,1-2H3.

What are the key properties of 2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2-oxazole;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine?

2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2-oxazole;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine has a molecular weight of 1242.40 g/mol, XLogP of 15.33, 24 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2-oxazole;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine is sourced from PubChem (CID 158881171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).