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

C21H19N3O4 — CID 4552356

IUPAC5-(3,5-dimethoxyphenyl)-3-(2-ethoxyquinolin-3-yl)-1,2,4-oxadiazole
SMILESCCOc1nc2ccccc2cc1-c1noc(-c2cc(OC)cc(OC)c2)n1
InChIInChI=1S/C21H19N3O4/c1-4-27-21-17(11-13-7-5-6-8-18(13)22-21)19-23-20(28-24-19)14-9-15(25-2)12-16(10-14)26-3/h5-12H,4H2,1-3H3
InChIKeyMPQNIEYQBUYHRM-UHFFFAOYSA-N
MW377.40 g/mol
LogP4.37
Rot. Bonds6

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

5-(3,5-dimethoxyphenyl)-3-(2-ethoxyquinolin-3-yl)-1,2,4-oxadiazole (PubChem CID 4552356) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is 5-(3,5-dimethoxyphenyl)-3-(2-ethoxyquinolin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3,5-dimethoxyphenyl)-3-(2-ethoxyquinolin-3-yl)-1,2,4-oxadiazole
PubChem CID4552356
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name5-(3,5-dimethoxyphenyl)-3-(2-ethoxyquinolin-3-yl)-1,2,4-oxadiazole
SMILESCCOc1nc2ccccc2cc1-c1noc(-c2cc(OC)cc(OC)c2)n1
InChIInChI=1S/C21H19N3O4/c1-4-27-21-17(11-13-7-5-6-8-18(13)22-21)19-23-20(28-24-19)14-9-15(25-2)12-16(10-14)26-3/h5-12H,4H2,1-3H3
InChIKeyMPQNIEYQBUYHRM-UHFFFAOYSA-N
XLogP4.37
TPSA79.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(3,5-dimethoxyphenyl)-3-(2-ethoxyquinolin-3-yl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-phenyl-1,2,4-oxadiazole
CID 4318522
3-(2-ethoxyquinolin-3-yl)-5-(4-fluorophenyl)-1,2,4-oxadiazole
CID 3266698
3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 3549923
3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 5176334
3-(2-ethoxyquinolin-3-yl)-5-(phenoxymethyl)-1,2,4-oxadiazole
CID 2023299
3-(2-methoxyquinolin-3-yl)-5-pyridin-3-yl-1,2,4-oxadiazole
CID 665532
3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 2013900
3-(2-ethoxy-7-methylquinolin-3-yl)-5-pyridin-4-yl-1,2,4-oxadiazole
CID 3586075
5-(2-ethoxyphenyl)-3-(2-methoxy-6-methylquinolin-3-yl)-1,2,4-oxadiazole
CID 3788244
(2-ethoxyquinolin-3-yl)-trimethylsilane
CID 174326687
3-(2-methoxy-8-methylquinolin-3-yl)-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole
CID 3813118
3-[2-ethoxy-6-(3-methoxyphenyl)-3-pyridinyl]-5-methyl-1,2,4-oxadiazole
CID 913860

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethoxyphenyl)-3-(2-ethoxyquinolin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3,5-dimethoxyphenyl)-3-(2-ethoxyquinolin-3-yl)-1,2,4-oxadiazole (CID 4552356) is 5-(3,5-dimethoxyphenyl)-3-(2-ethoxyquinolin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3,5-dimethoxyphenyl)-3-(2-ethoxyquinolin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3,5-dimethoxyphenyl)-3-(2-ethoxyquinolin-3-yl)-1,2,4-oxadiazole is CCOc1nc2ccccc2cc1-c1noc(-c2cc(OC)cc(OC)c2)n1.
What is the InChIKey of 5-(3,5-dimethoxyphenyl)-3-(2-ethoxyquinolin-3-yl)-1,2,4-oxadiazole?
The InChIKey is MPQNIEYQBUYHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-4-27-21-17(11-13-7-5-6-8-18(13)22-21)19-23-20(28-24-19)14-9-15(25-2)12-16(10-14)26-3/h5-12H,4H2,1-3H3.
What are the key properties of 5-(3,5-dimethoxyphenyl)-3-(2-ethoxyquinolin-3-yl)-1,2,4-oxadiazole?
5-(3,5-dimethoxyphenyl)-3-(2-ethoxyquinolin-3-yl)-1,2,4-oxadiazole has a molecular weight of 377.40 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethoxyphenyl)-3-(2-ethoxyquinolin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 4552356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).