3-(2-ethoxyquinolin-3-yl)-5-(phenoxymethyl)-1,2,4-oxadiazole

C20H17N3O3 — CID 2023299

IUPAC3-(2-ethoxyquinolin-3-yl)-5-(phenoxymethyl)-1,2,4-oxadiazole
SMILESCCOc1nc2ccccc2cc1-c1noc(COc2ccccc2)n1
InChIInChI=1S/C20H17N3O3/c1-2-24-20-16(12-14-8-6-7-11-17(14)21-20)19-22-18(26-23-19)13-25-15-9-4-3-5-10-15/h3-12H,2,13H2,1H3
InChIKeyWWGBDYLVSAMLAK-UHFFFAOYSA-N
MW347.37 g/mol
LogP4.26
Rot. Bonds6

About 3-(2-ethoxyquinolin-3-yl)-5-(phenoxymethyl)-1,2,4-oxadiazole

3-(2-ethoxyquinolin-3-yl)-5-(phenoxymethyl)-1,2,4-oxadiazole (PubChem CID 2023299) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 3-(2-ethoxyquinolin-3-yl)-5-(phenoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-ethoxyquinolin-3-yl)-5-(phenoxymethyl)-1,2,4-oxadiazole
PubChem CID2023299
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name3-(2-ethoxyquinolin-3-yl)-5-(phenoxymethyl)-1,2,4-oxadiazole
SMILESCCOc1nc2ccccc2cc1-c1noc(COc2ccccc2)n1
InChIInChI=1S/C20H17N3O3/c1-2-24-20-16(12-14-8-6-7-11-17(14)21-20)19-22-18(26-23-19)13-25-15-9-4-3-5-10-15/h3-12H,2,13H2,1H3
InChIKeyWWGBDYLVSAMLAK-UHFFFAOYSA-N
XLogP4.26
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3,5-dimethoxyphenyl)-3-(2-ethoxyquinolin-3-yl)-1,2,4-oxadiazole
CID 4552356
3-(2-ethoxyquinolin-3-yl)-5-(4-fluorophenyl)-1,2,4-oxadiazole
CID 3266698
3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-phenyl-1,2,4-oxadiazole
CID 4318522
3-(2-ethoxy-8-methylquinolin-3-yl)-5-ethyl-1,2,4-oxadiazole
CID 2002514
3-(2-ethoxy-7-methylquinolin-3-yl)-5-(2-methylpropyl)-1,2,4-oxadiazole
CID 3830668
3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 5176334
5-butyl-3-(2-ethoxy-8-methylquinolin-3-yl)-1,2,4-oxadiazole
CID 3782941
5-(phenoxymethyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 880364
5-[(4-methoxyphenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 926660
3-(2-ethoxy-8-methylquinolin-3-yl)-5-(2-methylpropyl)-1,2,4-oxadiazole
CID 2016493
(2-ethoxyquinolin-3-yl)-trimethylsilane
CID 174326687
3-(2,4-dimethoxyphenyl)-5-[(2-ethoxyphenoxy)methyl]-1,2,4-oxadiazole
CID 9353480

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyquinolin-3-yl)-5-(phenoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-ethoxyquinolin-3-yl)-5-(phenoxymethyl)-1,2,4-oxadiazole (CID 2023299) is 3-(2-ethoxyquinolin-3-yl)-5-(phenoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-ethoxyquinolin-3-yl)-5-(phenoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-ethoxyquinolin-3-yl)-5-(phenoxymethyl)-1,2,4-oxadiazole is CCOc1nc2ccccc2cc1-c1noc(COc2ccccc2)n1.
What is the InChIKey of 3-(2-ethoxyquinolin-3-yl)-5-(phenoxymethyl)-1,2,4-oxadiazole?
The InChIKey is WWGBDYLVSAMLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-2-24-20-16(12-14-8-6-7-11-17(14)21-20)19-22-18(26-23-19)13-25-15-9-4-3-5-10-15/h3-12H,2,13H2,1H3.
What are the key properties of 3-(2-ethoxyquinolin-3-yl)-5-(phenoxymethyl)-1,2,4-oxadiazole?
3-(2-ethoxyquinolin-3-yl)-5-(phenoxymethyl)-1,2,4-oxadiazole has a molecular weight of 347.37 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyquinolin-3-yl)-5-(phenoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 2023299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).