4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-diethyl-6-methylpyridin-2-amine

C20H24N4O3 — CID 68579557

IUPAC4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-diethyl-6-methylpyridin-2-amine
SMILESCCN(CC)c1cc(-c2nc(-c3ccc(OC)cc3OC)no2)cc(C)n1
InChIInChI=1S/C20H24N4O3/c1-6-24(7-2)18-11-14(10-13(3)21-18)20-22-19(23-27-20)16-9-8-15(25-4)12-17(16)26-5/h8-12H,6-7H2,1-5H3
InChIKeyXFFSASOXBQDUSX-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.97
Rot. Bonds7

About 4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-diethyl-6-methylpyridin-2-amine

4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-diethyl-6-methylpyridin-2-amine (PubChem CID 68579557) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-diethyl-6-methylpyridin-2-amine.

Molecular Properties

Compound Name4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-diethyl-6-methylpyridin-2-amine
PubChem CID68579557
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-diethyl-6-methylpyridin-2-amine
SMILESCCN(CC)c1cc(-c2nc(-c3ccc(OC)cc3OC)no2)cc(C)n1
InChIInChI=1S/C20H24N4O3/c1-6-24(7-2)18-11-14(10-13(3)21-18)20-22-19(23-27-20)16-9-8-15(25-4)12-17(16)26-5/h8-12H,6-7H2,1-5H3
InChIKeyXFFSASOXBQDUSX-UHFFFAOYSA-N
XLogP3.97
TPSA73.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-diethyl-6-methylpyridin-2-amine with MolForge

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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
N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2-methylaniline
CID 78820649
4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,6-dimethylpyrimidin-2-amine
CID 167850970
2-hydroxy-N-[(2S)-2-hydroxy-3-[3-methoxy-4-[5-[2-methyl-6-[methyl(propan-2-yl)amino]-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propyl]acetamide
CID 68578353
N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylpropan-1-amine
CID 78822364
3-(2,4-dimethoxyphenyl)-5-[(4-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazole
CID 51202891
5-but-2-en-2-yl-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 91941431
5-(2,4-dimethoxyphenyl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole
CID 53112506
3-(2,4-dimethoxyphenyl)-5-[(1S)-1-methoxyethyl]-1,2,4-oxadiazole
CID 95333703
3-(2,4-dimethoxyphenyl)-5-(2-methoxyquinolin-4-yl)-1,2,4-oxadiazole
CID 166253902
3-(2,4-dimethoxyphenyl)-5-[(2-ethoxyphenoxy)methyl]-1,2,4-oxadiazole
CID 9353480
N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-methylethanamine
CID 75526119

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-diethyl-6-methylpyridin-2-amine?
The IUPAC name of 4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-diethyl-6-methylpyridin-2-amine (CID 68579557) is 4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-diethyl-6-methylpyridin-2-amine.
What is the SMILES notation for 4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-diethyl-6-methylpyridin-2-amine?
The canonical SMILES for 4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-diethyl-6-methylpyridin-2-amine is CCN(CC)c1cc(-c2nc(-c3ccc(OC)cc3OC)no2)cc(C)n1.
What is the InChIKey of 4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-diethyl-6-methylpyridin-2-amine?
The InChIKey is XFFSASOXBQDUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-6-24(7-2)18-11-14(10-13(3)21-18)20-22-19(23-27-20)16-9-8-15(25-4)12-17(16)26-5/h8-12H,6-7H2,1-5H3.
What are the key properties of 4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-diethyl-6-methylpyridin-2-amine?
4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-diethyl-6-methylpyridin-2-amine has a molecular weight of 368.44 g/mol, XLogP of 3.97, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-diethyl-6-methylpyridin-2-amine is sourced from PubChem (CID 68579557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).