N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2-methylaniline

C20H23N3O3 — CID 78820649

IUPACN-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2-methylaniline
SMILESCCN(Cc1nc(-c2ccc(OC)cc2OC)no1)c1ccccc1C
InChIInChI=1S/C20H23N3O3/c1-5-23(17-9-7-6-8-14(17)2)13-19-21-20(22-26-19)16-11-10-15(24-3)12-18(16)25-4/h6-12H,5,13H2,1-4H3
InChIKeyPAEULZBSIBTHID-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.09
Rot. Bonds7

About N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2-methylaniline

N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2-methylaniline (PubChem CID 78820649) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2-methylaniline.

Molecular Properties

Compound NameN-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2-methylaniline
PubChem CID78820649
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2-methylaniline
SMILESCCN(Cc1nc(-c2ccc(OC)cc2OC)no1)c1ccccc1C
InChIInChI=1S/C20H23N3O3/c1-5-23(17-9-7-6-8-14(17)2)13-19-21-20(22-26-19)16-11-10-15(24-3)12-18(16)25-4/h6-12H,5,13H2,1-4H3
InChIKeyPAEULZBSIBTHID-UHFFFAOYSA-N
XLogP4.09
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2-methylaniline 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

N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylpropan-1-amine
CID 78822364
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
N-[(5-chlorothiophen-2-yl)methyl]-N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 86907023
N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 51202784
N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-ethylaniline
CID 51202915
4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-diethyl-6-methylpyridin-2-amine
CID 68579557
N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3,4-dimethylphenoxy)-N-methylbutanamide
CID 132671916
N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-phenylsulfanylacetamide
CID 99998967
N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methoxyphenoxy)-N-methylbutanamide
CID 132672307
3-(2,4-dimethoxyphenyl)-5-[(4-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazole
CID 51202891
3-(2,4-dimethoxyphenyl)-5-(2-pyrazol-1-ylpropyl)-1,2,4-oxadiazole
CID 138000258

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2-methylaniline?
The IUPAC name of N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2-methylaniline (CID 78820649) is N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2-methylaniline.
What is the SMILES notation for N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2-methylaniline?
The canonical SMILES for N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2-methylaniline is CCN(Cc1nc(-c2ccc(OC)cc2OC)no1)c1ccccc1C.
What is the InChIKey of N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2-methylaniline?
The InChIKey is PAEULZBSIBTHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-5-23(17-9-7-6-8-14(17)2)13-19-21-20(22-26-19)16-11-10-15(24-3)12-18(16)25-4/h6-12H,5,13H2,1-4H3.
What are the key properties of N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2-methylaniline?
N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2-methylaniline has a molecular weight of 353.42 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2-methylaniline is sourced from PubChem (CID 78820649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).