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

C20H17N3O3 — CID 665510

IUPAC5-(2-ethoxyphenyl)-3-(2-methoxyquinolin-3-yl)-1,2,4-oxadiazole
SMILESCCOc1ccccc1-c1nc(-c2cc3ccccc3nc2OC)no1
InChIInChI=1S/C20H17N3O3/c1-3-25-17-11-7-5-9-14(17)20-22-18(23-26-20)15-12-13-8-4-6-10-16(13)21-19(15)24-2/h4-12H,3H2,1-2H3
InChIKeyLLNNAMCBVWHVQU-UHFFFAOYSA-N
MW347.37 g/mol
LogP4.36
Rot. Bonds5

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

5-(2-ethoxyphenyl)-3-(2-methoxyquinolin-3-yl)-1,2,4-oxadiazole (PubChem CID 665510) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 5-(2-ethoxyphenyl)-3-(2-methoxyquinolin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-ethoxyphenyl)-3-(2-methoxyquinolin-3-yl)-1,2,4-oxadiazole
PubChem CID665510
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name5-(2-ethoxyphenyl)-3-(2-methoxyquinolin-3-yl)-1,2,4-oxadiazole
SMILESCCOc1ccccc1-c1nc(-c2cc3ccccc3nc2OC)no1
InChIInChI=1S/C20H17N3O3/c1-3-25-17-11-7-5-9-14(17)20-22-18(23-26-20)15-12-13-8-4-6-10-16(13)21-19(15)24-2/h4-12H,3H2,1-2H3
InChIKeyLLNNAMCBVWHVQU-UHFFFAOYSA-N
XLogP4.36
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyphenyl)-3-(2-methoxyquinolin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-ethoxyphenyl)-3-(2-methoxyquinolin-3-yl)-1,2,4-oxadiazole (CID 665510) is 5-(2-ethoxyphenyl)-3-(2-methoxyquinolin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-ethoxyphenyl)-3-(2-methoxyquinolin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-ethoxyphenyl)-3-(2-methoxyquinolin-3-yl)-1,2,4-oxadiazole is CCOc1ccccc1-c1nc(-c2cc3ccccc3nc2OC)no1.
What is the InChIKey of 5-(2-ethoxyphenyl)-3-(2-methoxyquinolin-3-yl)-1,2,4-oxadiazole?
The InChIKey is LLNNAMCBVWHVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-3-25-17-11-7-5-9-14(17)20-22-18(23-26-20)15-12-13-8-4-6-10-16(13)21-19(15)24-2/h4-12H,3H2,1-2H3.
What are the key properties of 5-(2-ethoxyphenyl)-3-(2-methoxyquinolin-3-yl)-1,2,4-oxadiazole?
5-(2-ethoxyphenyl)-3-(2-methoxyquinolin-3-yl)-1,2,4-oxadiazole has a molecular weight of 347.37 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyphenyl)-3-(2-methoxyquinolin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 665510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).