2-(3,5-dimethylphenoxy)-N-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]acetamide

C20H21N3O4 — CID 39868087

IUPAC2-(3,5-dimethylphenoxy)-N-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]acetamide
SMILESCCOc1ccc(-c2nc(NC(=O)COc3cc(C)cc(C)c3)no2)cc1
InChIInChI=1S/C20H21N3O4/c1-4-25-16-7-5-15(6-8-16)19-22-20(23-27-19)21-18(24)12-26-17-10-13(2)9-14(3)11-17/h5-11H,4,12H2,1-3H3,(H,21,23,24)
InChIKeyLBPRRSCLVQCUTR-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.77
Rot. Bonds7

About 2-(3,5-dimethylphenoxy)-N-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]acetamide

2-(3,5-dimethylphenoxy)-N-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]acetamide (PubChem CID 39868087) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]acetamide
PubChem CID39868087
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name2-(3,5-dimethylphenoxy)-N-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]acetamide
SMILESCCOc1ccc(-c2nc(NC(=O)COc3cc(C)cc(C)c3)no2)cc1
InChIInChI=1S/C20H21N3O4/c1-4-25-16-7-5-15(6-8-16)19-22-20(23-27-19)21-18(24)12-26-17-10-13(2)9-14(3)11-17/h5-11H,4,12H2,1-3H3,(H,21,23,24)
InChIKeyLBPRRSCLVQCUTR-UHFFFAOYSA-N
XLogP3.77
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-phenoxyacetamide
CID 39867782
N-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 20897224
2-(4-tert-butylphenoxy)-N-(5-phenyl-1,2,4-oxadiazol-3-yl)acetamide
CID 20897201
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide
CID 43975792
N-(3,4-dimethylphenyl)-2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 25237785
2-(3,5-dimethylphenoxy)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 30331365
2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-propylacetamide
CID 25238298
N-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-(4-methylphenoxy)acetamide
CID 39866946
N-(2-methylphenyl)-2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 25237779
2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(3-methylphenyl)acetamide
CID 25237944
N-(4-methoxyphenyl)-2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 25237937
5-(4-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 867105

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]acetamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]acetamide (CID 39868087) is 2-(3,5-dimethylphenoxy)-N-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]acetamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]acetamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]acetamide is CCOc1ccc(-c2nc(NC(=O)COc3cc(C)cc(C)c3)no2)cc1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]acetamide?
The InChIKey is LBPRRSCLVQCUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-4-25-16-7-5-15(6-8-16)19-22-20(23-27-19)21-18(24)12-26-17-10-13(2)9-14(3)11-17/h5-11H,4,12H2,1-3H3,(H,21,23,24).
What are the key properties of 2-(3,5-dimethylphenoxy)-N-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]acetamide?
2-(3,5-dimethylphenoxy)-N-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]acetamide has a molecular weight of 367.41 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]acetamide is sourced from PubChem (CID 39868087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).