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

C18H17N3O4 — CID 39867782

IUPACN-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-phenoxyacetamide
SMILESCCOc1ccc(-c2nc(NC(=O)COc3ccccc3)no2)cc1
InChIInChI=1S/C18H17N3O4/c1-2-23-15-10-8-13(9-11-15)17-20-18(21-25-17)19-16(22)12-24-14-6-4-3-5-7-14/h3-11H,2,12H2,1H3,(H,19,21,22)
InChIKeyCKZBYWMNLSMFQK-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.15
Rot. Bonds7

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

N-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-phenoxyacetamide (PubChem CID 39867782) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is N-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-phenoxyacetamide
PubChem CID39867782
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC NameN-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-phenoxyacetamide
SMILESCCOc1ccc(-c2nc(NC(=O)COc3ccccc3)no2)cc1
InChIInChI=1S/C18H17N3O4/c1-2-23-15-10-8-13(9-11-15)17-20-18(21-25-17)19-16(22)12-24-14-6-4-3-5-7-14/h3-11H,2,12H2,1H3,(H,19,21,22)
InChIKeyCKZBYWMNLSMFQK-UHFFFAOYSA-N
XLogP3.15
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-dimethylphenoxy)-N-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]acetamide
CID 39868087
2-(4-tert-butylphenoxy)-N-(5-phenyl-1,2,4-oxadiazol-3-yl)acetamide
CID 20897201
2-(2-methoxyphenoxy)-N-(5-phenyl-1,2,4-oxadiazol-3-yl)acetamide
CID 20897192
N-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 20897224
2-(2,3-dimethylphenoxy)-N-(5-phenyl-1,2,4-oxadiazol-3-yl)acetamide
CID 20897204
N-(2-methylphenyl)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 46266748
5-(4-ethoxyphenyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 63382902
2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-pyridin-3-ylacetamide
CID 46266764
N-(2-chlorophenyl)-2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 46266785
N-(3-ethylphenyl)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25237863
N-tert-butyl-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 46266757
N-(2-methylphenyl)-2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 25237779

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-phenoxyacetamide?
The IUPAC name of N-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-phenoxyacetamide (CID 39867782) is N-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-phenoxyacetamide is CCOc1ccc(-c2nc(NC(=O)COc3ccccc3)no2)cc1.
What is the InChIKey of N-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-phenoxyacetamide?
The InChIKey is CKZBYWMNLSMFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-2-23-15-10-8-13(9-11-15)17-20-18(21-25-17)19-16(22)12-24-14-6-4-3-5-7-14/h3-11H,2,12H2,1H3,(H,19,21,22).
What are the key properties of N-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-phenoxyacetamide?
N-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-phenoxyacetamide has a molecular weight of 339.35 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-phenoxyacetamide is sourced from PubChem (CID 39867782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).