3-[2-ethoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-pyridin-4-yl-1,2,4-oxadiazole

C21H18N4O3 — CID 663893

IUPAC3-[2-ethoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-pyridin-4-yl-1,2,4-oxadiazole
SMILESCCOc1nc(-c2ccc(OC)cc2)ccc1-c1noc(-c2ccncc2)n1
InChIInChI=1S/C21H18N4O3/c1-3-27-21-17(19-24-20(28-25-19)15-10-12-22-13-11-15)8-9-18(23-21)14-4-6-16(26-2)7-5-14/h4-13H,3H2,1-2H3
InChIKeyCCNYXINCYAGCJF-UHFFFAOYSA-N
MW374.40 g/mol
LogP4.27
Rot. Bonds6

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

3-[2-ethoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 663893) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is 3-[2-ethoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-ethoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID663893
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name3-[2-ethoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-pyridin-4-yl-1,2,4-oxadiazole
SMILESCCOc1nc(-c2ccc(OC)cc2)ccc1-c1noc(-c2ccncc2)n1
InChIInChI=1S/C21H18N4O3/c1-3-27-21-17(19-24-20(28-25-19)15-10-12-22-13-11-15)8-9-18(23-21)14-4-6-16(26-2)7-5-14/h4-13H,3H2,1-2H3
InChIKeyCCNYXINCYAGCJF-UHFFFAOYSA-N
XLogP4.27
TPSA83.16 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-ethoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[2-ethoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-pyridin-4-yl-1,2,4-oxadiazole (CID 663893) is 3-[2-ethoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-ethoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-ethoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-pyridin-4-yl-1,2,4-oxadiazole is CCOc1nc(-c2ccc(OC)cc2)ccc1-c1noc(-c2ccncc2)n1.
What is the InChIKey of 3-[2-ethoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is CCNYXINCYAGCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-3-27-21-17(19-24-20(28-25-19)15-10-12-22-13-11-15)8-9-18(23-21)14-4-6-16(26-2)7-5-14/h4-13H,3H2,1-2H3.
What are the key properties of 3-[2-ethoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-pyridin-4-yl-1,2,4-oxadiazole?
3-[2-ethoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 374.40 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-ethoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 663893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).