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

C21H23N3O4 — CID 56508810

IUPACN-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-[4-(4-methylphenoxy)phenoxy]acetamide
SMILESCCc1noc(CN(C)C(=O)COc2ccc(Oc3ccc(C)cc3)cc2)n1
InChIInChI=1S/C21H23N3O4/c1-4-19-22-20(28-23-19)13-24(3)21(25)14-26-16-9-11-18(12-10-16)27-17-7-5-15(2)6-8-17/h5-12H,4,13-14H2,1-3H3
InChIKeyWEJPDRQSPDFBTR-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.77
Rot. Bonds8

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

N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-[4-(4-methylphenoxy)phenoxy]acetamide (PubChem CID 56508810) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-[4-(4-methylphenoxy)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-[4-(4-methylphenoxy)phenoxy]acetamide
PubChem CID56508810
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC NameN-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-[4-(4-methylphenoxy)phenoxy]acetamide
SMILESCCc1noc(CN(C)C(=O)COc2ccc(Oc3ccc(C)cc3)cc2)n1
InChIInChI=1S/C21H23N3O4/c1-4-19-22-20(28-23-19)13-24(3)21(25)14-26-16-9-11-18(12-10-16)27-17-7-5-15(2)6-8-17/h5-12H,4,13-14H2,1-3H3
InChIKeyWEJPDRQSPDFBTR-UHFFFAOYSA-N
XLogP3.77
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

2-[4-(4-chlorobenzoyl)phenoxy]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylacetamide
CID 56510085
2-(4-chlorophenoxy)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 8874634
2-(4-chloro-3-methylphenoxy)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 8874860
N-[(4-chlorophenyl)methyl]-2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-methylacetamide
CID 50746918
2-(4-ethylphenoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide
CID 86929165
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3,4-dimethylphenoxy)-N-methylacetamide
CID 8875008
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3,5-dimethylphenoxy)-N-methylacetamide
CID 50874765
1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-3-phenylurea
CID 51108291
2-(3,4-dimethylphenoxy)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 8875001
N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-phenoxyacetamide
CID 53055635
N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100758736
2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 60585503

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-[4-(4-methylphenoxy)phenoxy]acetamide?
The IUPAC name of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-[4-(4-methylphenoxy)phenoxy]acetamide (CID 56508810) is N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-[4-(4-methylphenoxy)phenoxy]acetamide.
What is the SMILES notation for N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-[4-(4-methylphenoxy)phenoxy]acetamide?
The canonical SMILES for N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-[4-(4-methylphenoxy)phenoxy]acetamide is CCc1noc(CN(C)C(=O)COc2ccc(Oc3ccc(C)cc3)cc2)n1.
What is the InChIKey of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-[4-(4-methylphenoxy)phenoxy]acetamide?
The InChIKey is WEJPDRQSPDFBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-4-19-22-20(28-23-19)13-24(3)21(25)14-26-16-9-11-18(12-10-16)27-17-7-5-15(2)6-8-17/h5-12H,4,13-14H2,1-3H3.
What are the key properties of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-[4-(4-methylphenoxy)phenoxy]acetamide?
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-[4-(4-methylphenoxy)phenoxy]acetamide has a molecular weight of 381.43 g/mol, XLogP of 3.77, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-[4-(4-methylphenoxy)phenoxy]acetamide is sourced from PubChem (CID 56508810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).