N-(2-methoxyethyl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide

C11H13N3O4S — CID 47772048

IUPACN-(2-methoxyethyl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
SMILESCOCCNC(=O)Cn1c(-c2cccs2)noc1=O
InChIInChI=1S/C11H13N3O4S/c1-17-5-4-12-9(15)7-14-10(13-18-11(14)16)8-3-2-6-19-8/h2-3,6H,4-5,7H2,1H3,(H,12,15)
InChIKeyLHNPQAZOTTWABY-UHFFFAOYSA-N
MW283.31 g/mol
LogP0.33
Rot. Bonds6

About N-(2-methoxyethyl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide

N-(2-methoxyethyl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide (PubChem CID 47772048) has the molecular formula C11H13N3O4S and a molecular weight of 283.31 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
PubChem CID47772048
Molecular FormulaC11H13N3O4S
Molecular Weight283.31 g/mol
Exact Mass283.06
IUPAC NameN-(2-methoxyethyl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
SMILESCOCCNC(=O)Cn1c(-c2cccs2)noc1=O
InChIInChI=1S/C11H13N3O4S/c1-17-5-4-12-9(15)7-14-10(13-18-11(14)16)8-3-2-6-19-8/h2-3,6H,4-5,7H2,1H3,(H,12,15)
InChIKeyLHNPQAZOTTWABY-UHFFFAOYSA-N
XLogP0.33
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 47772019
2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 47771997
N-(4-acetylphenyl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 51099628
N-(2-ethyl-6-methylphenyl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 47772068
N-naphthalen-1-yl-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 47772001
N-(2-bromo-4-methylphenyl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 47771985
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 52751080
N-(2-methoxyethyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide
CID 95799106
2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)-N-[(1S)-1-phenylbutyl]acetamide
CID 52794526
2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)-N-(2-phenoxyphenyl)acetamide
CID 47772000
N-[(2,4-dimethylphenyl)carbamoyl]-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 47772151
N-[2-(2-methoxyethylamino)-2-oxoethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 42821209

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide (CID 47772048) is N-(2-methoxyethyl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide is COCCNC(=O)Cn1c(-c2cccs2)noc1=O.
What is the InChIKey of N-(2-methoxyethyl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide?
The InChIKey is LHNPQAZOTTWABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4S/c1-17-5-4-12-9(15)7-14-10(13-18-11(14)16)8-3-2-6-19-8/h2-3,6H,4-5,7H2,1H3,(H,12,15).
What are the key properties of N-(2-methoxyethyl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide?
N-(2-methoxyethyl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide has a molecular weight of 283.31 g/mol, XLogP of 0.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide is sourced from PubChem (CID 47772048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).