2-(3,4-diethoxyphenyl)-5-methyl-1,3,4-oxadiazole

C13H16N2O3 — CID 71563513

IUPAC2-(3,4-diethoxyphenyl)-5-methyl-1,3,4-oxadiazole
SMILESCCOc1ccc(-c2nnc(C)o2)cc1OCC
InChIInChI=1S/C13H16N2O3/c1-4-16-11-7-6-10(8-12(11)17-5-2)13-15-14-9(3)18-13/h6-8H,4-5H2,1-3H3
InChIKeyGFSDPYAXQQNUCT-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.84
Rot. Bonds5

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

2-(3,4-diethoxyphenyl)-5-methyl-1,3,4-oxadiazole (PubChem CID 71563513) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-(3,4-diethoxyphenyl)-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3,4-diethoxyphenyl)-5-methyl-1,3,4-oxadiazole
PubChem CID71563513
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-(3,4-diethoxyphenyl)-5-methyl-1,3,4-oxadiazole
SMILESCCOc1ccc(-c2nnc(C)o2)cc1OCC
InChIInChI=1S/C13H16N2O3/c1-4-16-11-7-6-10(8-12(11)17-5-2)13-15-14-9(3)18-13/h6-8H,4-5H2,1-3H3
InChIKeyGFSDPYAXQQNUCT-UHFFFAOYSA-N
XLogP2.84
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-diethoxyphenyl)-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-(3,4-diethoxyphenyl)-5-methyl-1,3,4-oxadiazole (CID 71563513) is 2-(3,4-diethoxyphenyl)-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3,4-diethoxyphenyl)-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(3,4-diethoxyphenyl)-5-methyl-1,3,4-oxadiazole is CCOc1ccc(-c2nnc(C)o2)cc1OCC.
What is the InChIKey of 2-(3,4-diethoxyphenyl)-5-methyl-1,3,4-oxadiazole?
The InChIKey is GFSDPYAXQQNUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-4-16-11-7-6-10(8-12(11)17-5-2)13-15-14-9(3)18-13/h6-8H,4-5H2,1-3H3.
What are the key properties of 2-(3,4-diethoxyphenyl)-5-methyl-1,3,4-oxadiazole?
2-(3,4-diethoxyphenyl)-5-methyl-1,3,4-oxadiazole has a molecular weight of 248.28 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-diethoxyphenyl)-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 71563513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).