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

C8H7N3O3S — CID 47771997

IUPAC2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
SMILESNC(=O)Cn1c(-c2cccs2)noc1=O
InChIInChI=1S/C8H7N3O3S/c9-6(12)4-11-7(10-14-8(11)13)5-2-1-3-15-5/h1-3H,4H2,(H2,9,12)
InChIKeyJHJFRPOEYISPJG-UHFFFAOYSA-N
MW225.23 g/mol
LogP0.05
Rot. Bonds3

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

2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide (PubChem CID 47771997) has the molecular formula C8H7N3O3S and a molecular weight of 225.23 g/mol. Its IUPAC name is 2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
PubChem CID47771997
Molecular FormulaC8H7N3O3S
Molecular Weight225.23 g/mol
Exact Mass225.02
IUPAC Name2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
SMILESNC(=O)Cn1c(-c2cccs2)noc1=O
InChIInChI=1S/C8H7N3O3S/c9-6(12)4-11-7(10-14-8(11)13)5-2-1-3-15-5/h1-3H,4H2,(H2,9,12)
InChIKeyJHJFRPOEYISPJG-UHFFFAOYSA-N
XLogP0.05
TPSA91.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyethyl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 47772048
2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetonitrile
CID 6487483
4-[[4-(hydroxymethyl)phenyl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazol-5-one
CID 110005307
N-[(4-chlorophenyl)methyl]-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 47772019
N-naphthalen-1-yl-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 47772001
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
4-[(2-methylphenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazol-5-one
CID 6624086
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 52751080
N-(2-bromo-4-methylphenyl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 47771985
N-[(4-methoxyphenyl)methyl]-N-methyl-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 51128704
2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)-N-[(1S)-1-phenylbutyl]acetamide
CID 52794526

Frequently Asked Questions

What is the IUPAC name of 2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide?
The IUPAC name of 2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide (CID 47771997) is 2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide.
What is the SMILES notation for 2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide?
The canonical SMILES for 2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide is NC(=O)Cn1c(-c2cccs2)noc1=O.
What is the InChIKey of 2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide?
The InChIKey is JHJFRPOEYISPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3S/c9-6(12)4-11-7(10-14-8(11)13)5-2-1-3-15-5/h1-3H,4H2,(H2,9,12).
What are the key properties of 2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide?
2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide has a molecular weight of 225.23 g/mol, XLogP of 0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide is sourced from PubChem (CID 47771997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).