N-ethyl-2-(4-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide

C21H23N3O3 — CID 8836485

IUPACN-ethyl-2-(4-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
SMILESCCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)COc1ccc(C)cc1
InChIInChI=1S/C21H23N3O3/c1-4-24(20(25)14-26-18-11-7-16(3)8-12-18)13-19-22-21(23-27-19)17-9-5-15(2)6-10-17/h5-12H,4,13-14H2,1-3H3
InChIKeyGNFCHMFAHTWCQC-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.78
Rot. Bonds7

About N-ethyl-2-(4-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide

N-ethyl-2-(4-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide (PubChem CID 8836485) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-ethyl-2-(4-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-(4-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
PubChem CID8836485
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-ethyl-2-(4-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
SMILESCCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)COc1ccc(C)cc1
InChIInChI=1S/C21H23N3O3/c1-4-24(20(25)14-26-18-11-7-16(3)8-12-18)13-19-22-21(23-27-19)17-9-5-15(2)6-10-17/h5-12H,4,13-14H2,1-3H3
InChIKeyGNFCHMFAHTWCQC-UHFFFAOYSA-N
XLogP3.78
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-ethyl-2-(4-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide 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 N-ethyl-2-(4-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The IUPAC name of N-ethyl-2-(4-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide (CID 8836485) is N-ethyl-2-(4-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide.
What is the SMILES notation for N-ethyl-2-(4-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The canonical SMILES for N-ethyl-2-(4-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide is CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)COc1ccc(C)cc1.
What is the InChIKey of N-ethyl-2-(4-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The InChIKey is GNFCHMFAHTWCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-4-24(20(25)14-26-18-11-7-16(3)8-12-18)13-19-22-21(23-27-19)17-9-5-15(2)6-10-17/h5-12H,4,13-14H2,1-3H3.
What are the key properties of N-ethyl-2-(4-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
N-ethyl-2-(4-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide has a molecular weight of 365.43 g/mol, XLogP of 3.78, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide is sourced from PubChem (CID 8836485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).