3-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide

C20H21N3O4 — CID 2989774

IUPAC3-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
SMILESCCOc1ccc(-c2noc(CCC(=O)Nc3ccccc3)n2)cc1OC
InChIInChI=1S/C20H21N3O4/c1-3-26-16-10-9-14(13-17(16)25-2)20-22-19(27-23-20)12-11-18(24)21-15-7-5-4-6-8-15/h4-10,13H,3,11-12H2,1-2H3,(H,21,24)
InChIKeyQKIMUWZBMZHPTQ-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.72
Rot. Bonds8

About 3-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide

3-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide (PubChem CID 2989774) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 3-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide.

Molecular Properties

Compound Name3-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
PubChem CID2989774
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name3-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
SMILESCCOc1ccc(-c2noc(CCC(=O)Nc3ccccc3)n2)cc1OC
InChIInChI=1S/C20H21N3O4/c1-3-26-16-10-9-14(13-17(16)25-2)20-22-19(27-23-20)12-11-18(24)21-15-7-5-4-6-8-15/h4-10,13H,3,11-12H2,1-2H3,(H,21,24)
InChIKeyQKIMUWZBMZHPTQ-UHFFFAOYSA-N
XLogP3.72
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyphenyl)propanamide
CID 2989452
N-(4-ethoxyphenyl)-3-[3-(3-methoxy-4-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 17354704
3-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 2986039
N-(4-chlorophenyl)-4-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 3161763
4-[3-(3-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-fluorophenyl)butanamide
CID 2985774
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 2041528
N-(3-chloro-4-methoxyphenyl)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 9083038
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 3826214
4-[4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzoic acid
CID 46263757
N-(3-acetamido-4-methoxyphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 33308093
N-(2,6-dichlorophenyl)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100761019
4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-hydroxyphenyl)butanamide
CID 46263763

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide?
The IUPAC name of 3-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide (CID 2989774) is 3-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide.
What is the SMILES notation for 3-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide?
The canonical SMILES for 3-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide is CCOc1ccc(-c2noc(CCC(=O)Nc3ccccc3)n2)cc1OC.
What is the InChIKey of 3-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide?
The InChIKey is QKIMUWZBMZHPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-3-26-16-10-9-14(13-17(16)25-2)20-22-19(27-23-20)12-11-18(24)21-15-7-5-4-6-8-15/h4-10,13H,3,11-12H2,1-2H3,(H,21,24).
What are the key properties of 3-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide?
3-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide has a molecular weight of 367.41 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide is sourced from PubChem (CID 2989774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).