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

C17H17N3O3 — CID 2033237

IUPAC3-(3,4-diethoxyphenyl)-5-pyridin-3-yl-1,2,4-oxadiazole
SMILESCCOc1ccc(-c2noc(-c3cccnc3)n2)cc1OCC
InChIInChI=1S/C17H17N3O3/c1-3-21-14-8-7-12(10-15(14)22-4-2)16-19-17(23-20-16)13-6-5-9-18-11-13/h5-11H,3-4H2,1-2H3
InChIKeyOAWWGLPBZMKECF-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.60
Rot. Bonds6

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

3-(3,4-diethoxyphenyl)-5-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 2033237) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 3-(3,4-diethoxyphenyl)-5-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3,4-diethoxyphenyl)-5-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID2033237
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name3-(3,4-diethoxyphenyl)-5-pyridin-3-yl-1,2,4-oxadiazole
SMILESCCOc1ccc(-c2noc(-c3cccnc3)n2)cc1OCC
InChIInChI=1S/C17H17N3O3/c1-3-21-14-8-7-12(10-15(14)22-4-2)16-19-17(23-20-16)13-6-5-9-18-11-13/h5-11H,3-4H2,1-2H3
InChIKeyOAWWGLPBZMKECF-UHFFFAOYSA-N
XLogP3.60
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-diethoxyphenyl)-5-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(3,4-diethoxyphenyl)-5-pyridin-3-yl-1,2,4-oxadiazole (CID 2033237) is 3-(3,4-diethoxyphenyl)-5-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3,4-diethoxyphenyl)-5-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(3,4-diethoxyphenyl)-5-pyridin-3-yl-1,2,4-oxadiazole is CCOc1ccc(-c2noc(-c3cccnc3)n2)cc1OCC.
What is the InChIKey of 3-(3,4-diethoxyphenyl)-5-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is OAWWGLPBZMKECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-3-21-14-8-7-12(10-15(14)22-4-2)16-19-17(23-20-16)13-6-5-9-18-11-13/h5-11H,3-4H2,1-2H3.
What are the key properties of 3-(3,4-diethoxyphenyl)-5-pyridin-3-yl-1,2,4-oxadiazole?
3-(3,4-diethoxyphenyl)-5-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 311.34 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-diethoxyphenyl)-5-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 2033237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).