2-(4-ethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole

C15H13N3O2 — CID 647166

IUPAC2-(4-ethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESCCOc1ccc(-c2nnc(-c3ccncc3)o2)cc1
InChIInChI=1S/C15H13N3O2/c1-2-19-13-5-3-11(4-6-13)14-17-18-15(20-14)12-7-9-16-10-8-12/h3-10H,2H2,1H3
InChIKeyBHLYQBYKYUIAIR-UHFFFAOYSA-N
MW267.29 g/mol
LogP3.20
Rot. Bonds4

About 2-(4-ethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole

2-(4-ethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole (PubChem CID 647166) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole
PubChem CID647166
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2-(4-ethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESCCOc1ccc(-c2nnc(-c3ccncc3)o2)cc1
InChIInChI=1S/C15H13N3O2/c1-2-19-13-5-3-11(4-6-13)14-17-18-15(20-14)12-7-9-16-10-8-12/h3-10H,2H2,1H3
InChIKeyBHLYQBYKYUIAIR-UHFFFAOYSA-N
XLogP3.20
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(4-ethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole (CID 647166) is 2-(4-ethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-ethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-ethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole is CCOc1ccc(-c2nnc(-c3ccncc3)o2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole?
The InChIKey is BHLYQBYKYUIAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-2-19-13-5-3-11(4-6-13)14-17-18-15(20-14)12-7-9-16-10-8-12/h3-10H,2H2,1H3.
What are the key properties of 2-(4-ethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole?
2-(4-ethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole has a molecular weight of 267.29 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 647166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).