N,N-diethyl-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide

C21H23N3O3 — CID 50746022

IUPACN,N-diethyl-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
SMILESCCN(CC)C(=O)COc1ccccc1-c1nc(-c2ccc(C)cc2)no1
InChIInChI=1S/C21H23N3O3/c1-4-24(5-2)19(25)14-26-18-9-7-6-8-17(18)21-22-20(23-27-21)16-12-10-15(3)11-13-16/h6-13H,4-5,14H2,1-3H3
InChIKeyWUJPUJZHNZWTEW-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.96
Rot. Bonds7

About N,N-diethyl-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide

N,N-diethyl-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide (PubChem CID 50746022) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N,N-diethyl-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
PubChem CID50746022
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN,N-diethyl-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
SMILESCCN(CC)C(=O)COc1ccccc1-c1nc(-c2ccc(C)cc2)no1
InChIInChI=1S/C21H23N3O3/c1-4-24(5-2)19(25)14-26-18-9-7-6-8-17(18)21-22-20(23-27-21)16-12-10-15(3)11-13-16/h6-13H,4-5,14H2,1-3H3
InChIKeyWUJPUJZHNZWTEW-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 19658008
N-(2-ethoxyphenyl)-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 50746036
N-(4-fluorophenyl)-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 50746047
4-[5-[2-(2-amino-2-oxoethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylbenzamide
CID 136543120
2-(2,4-dimethylphenoxy)-N-ethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 8836537
2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(oxolan-2-ylmethyl)acetamide
CID 50746083
2-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid
CID 23008204
2-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(4-methylphenyl)acetamide
CID 50745782
2-(4-chloro-2-methylphenoxy)-N-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 8874485
4-[5-[2-[2-(dimethylamino)ethoxy]phenyl]-1,2,4-oxadiazol-3-yl]phenol
CID 135704072
2-(2-ethoxyphenoxy)-N,N-diethylacetamide
CID 60625239
2-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-pyrimidin-2-ylacetamide
CID 50746144

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide?
The IUPAC name of N,N-diethyl-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide (CID 50746022) is N,N-diethyl-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide.
What is the SMILES notation for N,N-diethyl-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide?
The canonical SMILES for N,N-diethyl-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide is CCN(CC)C(=O)COc1ccccc1-c1nc(-c2ccc(C)cc2)no1.
What is the InChIKey of N,N-diethyl-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide?
The InChIKey is WUJPUJZHNZWTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-4-24(5-2)19(25)14-26-18-9-7-6-8-17(18)21-22-20(23-27-21)16-12-10-15(3)11-13-16/h6-13H,4-5,14H2,1-3H3.
What are the key properties of N,N-diethyl-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide?
N,N-diethyl-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide has a molecular weight of 365.43 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide is sourced from PubChem (CID 50746022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).