3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-pyridin-4-yl-1,2,4-oxadiazole

C20H16N4O2 — CID 645805

IUPAC3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-pyridin-4-yl-1,2,4-oxadiazole
SMILESCCOc1nc(-c2ccccc2)ccc1-c1noc(-c2ccncc2)n1
InChIInChI=1S/C20H16N4O2/c1-2-25-20-16(8-9-17(22-20)14-6-4-3-5-7-14)18-23-19(26-24-18)15-10-12-21-13-11-15/h3-13H,2H2,1H3
InChIKeyFARLQTQYTRDJER-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.26
Rot. Bonds5

About 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-pyridin-4-yl-1,2,4-oxadiazole

3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 645805) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID645805
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-pyridin-4-yl-1,2,4-oxadiazole
SMILESCCOc1nc(-c2ccccc2)ccc1-c1noc(-c2ccncc2)n1
InChIInChI=1S/C20H16N4O2/c1-2-25-20-16(8-9-17(22-20)14-6-4-3-5-7-14)18-23-19(26-24-18)15-10-12-21-13-11-15/h3-13H,2H2,1H3
InChIKeyFARLQTQYTRDJER-UHFFFAOYSA-N
XLogP4.26
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-pyridin-4-yl-1,2,4-oxadiazole (CID 645805) is 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-pyridin-4-yl-1,2,4-oxadiazole is CCOc1nc(-c2ccccc2)ccc1-c1noc(-c2ccncc2)n1.
What is the InChIKey of 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is FARLQTQYTRDJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-2-25-20-16(8-9-17(22-20)14-6-4-3-5-7-14)18-23-19(26-24-18)15-10-12-21-13-11-15/h3-13H,2H2,1H3.
What are the key properties of 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-pyridin-4-yl-1,2,4-oxadiazole?
3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 344.37 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 645805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).