3-[(4-methoxyphenyl)methoxymethyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline

C19H21N3O3 — CID 51094811

IUPAC3-[(4-methoxyphenyl)methoxymethyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline
SMILESCOc1ccc(COCc2cccc(NCc3nc(C)no3)c2)cc1
InChIInChI=1S/C19H21N3O3/c1-14-21-19(25-22-14)11-20-17-5-3-4-16(10-17)13-24-12-15-6-8-18(23-2)9-7-15/h3-10,20H,11-13H2,1-2H3
InChIKeyQVPQIJFFSUIFLL-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.72
Rot. Bonds8

About 3-[(4-methoxyphenyl)methoxymethyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline

3-[(4-methoxyphenyl)methoxymethyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline (PubChem CID 51094811) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methoxymethyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methoxymethyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline
PubChem CID51094811
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name3-[(4-methoxyphenyl)methoxymethyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline
SMILESCOc1ccc(COCc2cccc(NCc3nc(C)no3)c2)cc1
InChIInChI=1S/C19H21N3O3/c1-14-21-19(25-22-14)11-20-17-5-3-4-16(10-17)13-24-12-15-6-8-18(23-2)9-7-15/h3-10,20H,11-13H2,1-2H3
InChIKeyQVPQIJFFSUIFLL-UHFFFAOYSA-N
XLogP3.72
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(4-methoxyphenyl)methoxymethyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methoxymethyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline?
The IUPAC name of 3-[(4-methoxyphenyl)methoxymethyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline (CID 51094811) is 3-[(4-methoxyphenyl)methoxymethyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline.
What is the SMILES notation for 3-[(4-methoxyphenyl)methoxymethyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline?
The canonical SMILES for 3-[(4-methoxyphenyl)methoxymethyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline is COc1ccc(COCc2cccc(NCc3nc(C)no3)c2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methoxymethyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline?
The InChIKey is QVPQIJFFSUIFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-14-21-19(25-22-14)11-20-17-5-3-4-16(10-17)13-24-12-15-6-8-18(23-2)9-7-15/h3-10,20H,11-13H2,1-2H3.
What are the key properties of 3-[(4-methoxyphenyl)methoxymethyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline?
3-[(4-methoxyphenyl)methoxymethyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline has a molecular weight of 339.40 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methoxymethyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline is sourced from PubChem (CID 51094811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).