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

C20H17N3O4 — CID 166253902

IUPAC3-(2,4-dimethoxyphenyl)-5-(2-methoxyquinolin-4-yl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(-c3cc(OC)nc4ccccc34)n2)c(OC)c1
InChIInChI=1S/C20H17N3O4/c1-24-12-8-9-14(17(10-12)25-2)19-22-20(27-23-19)15-11-18(26-3)21-16-7-5-4-6-13(15)16/h4-11H,1-3H3
InChIKeyKWXOBEKRHAYCPR-UHFFFAOYSA-N
MW363.37 g/mol
LogP3.98
Rot. Bonds5

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

3-(2,4-dimethoxyphenyl)-5-(2-methoxyquinolin-4-yl)-1,2,4-oxadiazole (PubChem CID 166253902) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-5-(2-methoxyquinolin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-5-(2-methoxyquinolin-4-yl)-1,2,4-oxadiazole
PubChem CID166253902
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name3-(2,4-dimethoxyphenyl)-5-(2-methoxyquinolin-4-yl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(-c3cc(OC)nc4ccccc34)n2)c(OC)c1
InChIInChI=1S/C20H17N3O4/c1-24-12-8-9-14(17(10-12)25-2)19-22-20(27-23-19)15-11-18(26-3)21-16-7-5-4-6-13(15)16/h4-11H,1-3H3
InChIKeyKWXOBEKRHAYCPR-UHFFFAOYSA-N
XLogP3.98
TPSA79.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2,4-dimethoxyphenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527886
4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(3,4-dimethylphenyl)isoquinolin-1-one
CID 53082138
N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 51202784
5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-amine
CID 63691181
5-(2-methoxyquinolin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97434815
5-(2-methoxyquinolin-4-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97434816
5-but-2-en-2-yl-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 91941431
2-(4-chlorophenyl)-4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phthalazin-1-one
CID 53082937
2-[5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 61325495
3-(2,4-dimethoxyphenyl)-5-[(1S)-1-methoxyethyl]-1,2,4-oxadiazole
CID 95333703
3-(2,3-dimethoxyphenyl)-5-(2-thiomorpholin-4-ylquinolin-4-yl)-1,2,4-oxadiazole
CID 50832549
5-(2,5-dimethoxyphenyl)-3-isoquinolin-1-yl-1,2,4-oxadiazole
CID 11232865

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-5-(2-methoxyquinolin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-5-(2-methoxyquinolin-4-yl)-1,2,4-oxadiazole (CID 166253902) is 3-(2,4-dimethoxyphenyl)-5-(2-methoxyquinolin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-5-(2-methoxyquinolin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-5-(2-methoxyquinolin-4-yl)-1,2,4-oxadiazole is COc1ccc(-c2noc(-c3cc(OC)nc4ccccc34)n2)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-5-(2-methoxyquinolin-4-yl)-1,2,4-oxadiazole?
The InChIKey is KWXOBEKRHAYCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c1-24-12-8-9-14(17(10-12)25-2)19-22-20(27-23-19)15-11-18(26-3)21-16-7-5-4-6-13(15)16/h4-11H,1-3H3.
What are the key properties of 3-(2,4-dimethoxyphenyl)-5-(2-methoxyquinolin-4-yl)-1,2,4-oxadiazole?
3-(2,4-dimethoxyphenyl)-5-(2-methoxyquinolin-4-yl)-1,2,4-oxadiazole has a molecular weight of 363.37 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-5-(2-methoxyquinolin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 166253902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).