3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(thiadiazol-4-yl)phenyl]propanamide

C21H19N5O3S — CID 55984297

IUPAC3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(thiadiazol-4-yl)phenyl]propanamide
SMILESCCOc1ccc(-c2noc(CCC(=O)Nc3ccc(-c4csnn4)cc3)n2)cc1
InChIInChI=1S/C21H19N5O3S/c1-2-28-17-9-5-15(6-10-17)21-23-20(29-25-21)12-11-19(27)22-16-7-3-14(4-8-16)18-13-30-26-24-18/h3-10,13H,2,11-12H2,1H3,(H,22,27)
InChIKeyGPURKMVWAWLQDB-UHFFFAOYSA-N
MW421.48 g/mol
LogP4.23
Rot. Bonds8

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

3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(thiadiazol-4-yl)phenyl]propanamide (PubChem CID 55984297) has the molecular formula C21H19N5O3S and a molecular weight of 421.48 g/mol. Its IUPAC name is 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(thiadiazol-4-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(thiadiazol-4-yl)phenyl]propanamide
PubChem CID55984297
Molecular FormulaC21H19N5O3S
Molecular Weight421.48 g/mol
Exact Mass421.12
IUPAC Name3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(thiadiazol-4-yl)phenyl]propanamide
SMILESCCOc1ccc(-c2noc(CCC(=O)Nc3ccc(-c4csnn4)cc3)n2)cc1
InChIInChI=1S/C21H19N5O3S/c1-2-28-17-9-5-15(6-10-17)21-23-20(29-25-21)12-11-19(27)22-16-7-3-14(4-8-16)18-13-30-26-24-18/h3-10,13H,2,11-12H2,1H3,(H,22,27)
InChIKeyGPURKMVWAWLQDB-UHFFFAOYSA-N
XLogP4.23
TPSA103.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-ethyl-6-oxo-3-pyridinyl)propanamide
CID 60552244
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-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)propanamide
CID 100764143
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-prop-2-enylpropanamide
CID 46586148
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 37266459
N-(4-chlorophenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3422358
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylbutan-2-yl)propanamide
CID 37133491
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 71296571
3-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propylbenzamide
CID 55705925
N-(4-ethoxyphenyl)-3-[3-(3-methoxy-4-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 17354704
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide
CID 46588142

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(thiadiazol-4-yl)phenyl]propanamide?
The IUPAC name of 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(thiadiazol-4-yl)phenyl]propanamide (CID 55984297) is 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(thiadiazol-4-yl)phenyl]propanamide.
What is the SMILES notation for 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(thiadiazol-4-yl)phenyl]propanamide?
The canonical SMILES for 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(thiadiazol-4-yl)phenyl]propanamide is CCOc1ccc(-c2noc(CCC(=O)Nc3ccc(-c4csnn4)cc3)n2)cc1.
What is the InChIKey of 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(thiadiazol-4-yl)phenyl]propanamide?
The InChIKey is GPURKMVWAWLQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3S/c1-2-28-17-9-5-15(6-10-17)21-23-20(29-25-21)12-11-19(27)22-16-7-3-14(4-8-16)18-13-30-26-24-18/h3-10,13H,2,11-12H2,1H3,(H,22,27).
What are the key properties of 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(thiadiazol-4-yl)phenyl]propanamide?
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(thiadiazol-4-yl)phenyl]propanamide has a molecular weight of 421.48 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(thiadiazol-4-yl)phenyl]propanamide is sourced from PubChem (CID 55984297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).