3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-ethyl-6-oxo-3-pyridinyl)propanamide

C20H22N4O4 — CID 60552244

IUPAC3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-ethyl-6-oxo-3-pyridinyl)propanamide
SMILESCCOc1ccc(-c2noc(CCC(=O)Nc3ccc(=O)n(CC)c3)n2)cc1
InChIInChI=1S/C20H22N4O4/c1-3-24-13-15(7-12-19(24)26)21-17(25)10-11-18-22-20(23-28-18)14-5-8-16(9-6-14)27-4-2/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,21,25)
InChIKeyHHGUILKZHWCATB-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.89
Rot. Bonds8

About 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-ethyl-6-oxo-3-pyridinyl)propanamide

3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-ethyl-6-oxo-3-pyridinyl)propanamide (PubChem CID 60552244) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-ethyl-6-oxo-3-pyridinyl)propanamide.

Molecular Properties

Compound Name3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-ethyl-6-oxo-3-pyridinyl)propanamide
PubChem CID60552244
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-ethyl-6-oxo-3-pyridinyl)propanamide
SMILESCCOc1ccc(-c2noc(CCC(=O)Nc3ccc(=O)n(CC)c3)n2)cc1
InChIInChI=1S/C20H22N4O4/c1-3-24-13-15(7-12-19(24)26)21-17(25)10-11-18-22-20(23-28-18)14-5-8-16(9-6-14)27-4-2/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,21,25)
InChIKeyHHGUILKZHWCATB-UHFFFAOYSA-N
XLogP2.89
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(thiadiazol-4-yl)phenyl]propanamide
CID 55984297
methyl 2-[[4-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoyl]amino]acetate
CID 43059753
4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-ethoxyphenyl)butanamide
CID 17101451
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 37266459
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylbutan-2-yl)propanamide
CID 37133491
3-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propylbenzamide
CID 55705925
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide
CID 46588142
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-prop-2-enylpropanamide
CID 46586148
N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 16599968
3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)propanamide
CID 100764143
N-(4-chlorophenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3422358
N-(5-bromo-2-methylphenyl)-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55804444

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-ethyl-6-oxo-3-pyridinyl)propanamide?
The IUPAC name of 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-ethyl-6-oxo-3-pyridinyl)propanamide (CID 60552244) is 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-ethyl-6-oxo-3-pyridinyl)propanamide.
What is the SMILES notation for 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-ethyl-6-oxo-3-pyridinyl)propanamide?
The canonical SMILES for 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-ethyl-6-oxo-3-pyridinyl)propanamide is CCOc1ccc(-c2noc(CCC(=O)Nc3ccc(=O)n(CC)c3)n2)cc1.
What is the InChIKey of 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-ethyl-6-oxo-3-pyridinyl)propanamide?
The InChIKey is HHGUILKZHWCATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-3-24-13-15(7-12-19(24)26)21-17(25)10-11-18-22-20(23-28-18)14-5-8-16(9-6-14)27-4-2/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,21,25).
What are the key properties of 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-ethyl-6-oxo-3-pyridinyl)propanamide?
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-ethyl-6-oxo-3-pyridinyl)propanamide has a molecular weight of 382.42 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-ethyl-6-oxo-3-pyridinyl)propanamide is sourced from PubChem (CID 60552244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).