2-(4-ethoxyphenoxy)-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]acetamide

C19H19N3O4S — CID 43977425

IUPAC2-(4-ethoxyphenoxy)-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCCOc1ccc(OCC(=O)Nc2nnc(-c3cccc(SC)c3)o2)cc1
InChIInChI=1S/C19H19N3O4S/c1-3-24-14-7-9-15(10-8-14)25-12-17(23)20-19-22-21-18(26-19)13-5-4-6-16(11-13)27-2/h4-11H,3,12H2,1-2H3,(H,20,22,23)
InChIKeyOZHIMSPKAUFRGO-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.87
Rot. Bonds8

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

2-(4-ethoxyphenoxy)-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 43977425) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID43977425
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name2-(4-ethoxyphenoxy)-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCCOc1ccc(OCC(=O)Nc2nnc(-c3cccc(SC)c3)o2)cc1
InChIInChI=1S/C19H19N3O4S/c1-3-24-14-7-9-15(10-8-14)25-12-17(23)20-19-22-21-18(26-19)13-5-4-6-16(11-13)27-2/h4-11H,3,12H2,1-2H3,(H,20,22,23)
InChIKeyOZHIMSPKAUFRGO-UHFFFAOYSA-N
XLogP3.87
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 43977317
2-(4-ethoxyphenoxy)-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43972013
2-(4-ethoxyphenoxy)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43977427
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide
CID 43975792
N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-2-naphthalen-2-ylacetamide
CID 43977845
2-(4-fluorophenoxy)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43977325
4-ethoxy-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7578105
N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide
CID 16854371
3,4-dimethoxy-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7577972
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(4-methoxyphenoxy)acetate
CID 7846670
N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide
CID 7295032
2-(4-chlorophenoxy)-N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43976699

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-(4-ethoxyphenoxy)-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]acetamide (CID 43977425) is 2-(4-ethoxyphenoxy)-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenoxy)-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenoxy)-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]acetamide is CCOc1ccc(OCC(=O)Nc2nnc(-c3cccc(SC)c3)o2)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is OZHIMSPKAUFRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-3-24-14-7-9-15(10-8-14)25-12-17(23)20-19-22-21-18(26-19)13-5-4-6-16(11-13)27-2/h4-11H,3,12H2,1-2H3,(H,20,22,23).
What are the key properties of 2-(4-ethoxyphenoxy)-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
2-(4-ethoxyphenoxy)-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 385.45 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 43977425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).