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

C20H15N3O4S — CID 47772000

IUPAC2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)-N-(2-phenoxyphenyl)acetamide
SMILESO=C(Cn1c(-c2cccs2)noc1=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C20H15N3O4S/c24-18(13-23-19(22-27-20(23)25)17-11-6-12-28-17)21-15-9-4-5-10-16(15)26-14-7-2-1-3-8-14/h1-12H,13H2,(H,21,24)
InChIKeyYCQWYVIKTVQAFH-UHFFFAOYSA-N
MW393.42 g/mol
LogP4.00
Rot. Bonds6

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

2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)-N-(2-phenoxyphenyl)acetamide (PubChem CID 47772000) has the molecular formula C20H15N3O4S and a molecular weight of 393.42 g/mol. Its IUPAC name is 2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)-N-(2-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)-N-(2-phenoxyphenyl)acetamide
PubChem CID47772000
Molecular FormulaC20H15N3O4S
Molecular Weight393.42 g/mol
Exact Mass393.08
IUPAC Name2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)-N-(2-phenoxyphenyl)acetamide
SMILESO=C(Cn1c(-c2cccs2)noc1=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C20H15N3O4S/c24-18(13-23-19(22-27-20(23)25)17-11-6-12-28-17)21-15-9-4-5-10-16(15)26-14-7-2-1-3-8-14/h1-12H,13H2,(H,21,24)
InChIKeyYCQWYVIKTVQAFH-UHFFFAOYSA-N
XLogP4.00
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-[2-(4-methylphenoxy)phenyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide
CID 38507615
N-(4-acetylphenyl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 51099628
2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 47771997
N-(2-methoxyethyl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 47772048
N-(2-ethyl-6-methylphenyl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 47772068
N-[(2,4-dimethylphenyl)carbamoyl]-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 47772151
2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)-N-[(1S)-1-phenylbutyl]acetamide
CID 52794526
N-[(4-chlorophenyl)methyl]-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 47772019
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 52751080
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 47772040

Frequently Asked Questions

What is the IUPAC name of 2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)-N-(2-phenoxyphenyl)acetamide?
The IUPAC name of 2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)-N-(2-phenoxyphenyl)acetamide (CID 47772000) is 2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)-N-(2-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)-N-(2-phenoxyphenyl)acetamide?
The canonical SMILES for 2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)-N-(2-phenoxyphenyl)acetamide is O=C(Cn1c(-c2cccs2)noc1=O)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of 2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)-N-(2-phenoxyphenyl)acetamide?
The InChIKey is YCQWYVIKTVQAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O4S/c24-18(13-23-19(22-27-20(23)25)17-11-6-12-28-17)21-15-9-4-5-10-16(15)26-14-7-2-1-3-8-14/h1-12H,13H2,(H,21,24).
What are the key properties of 2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)-N-(2-phenoxyphenyl)acetamide?
2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)-N-(2-phenoxyphenyl)acetamide has a molecular weight of 393.42 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 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)-N-(2-phenoxyphenyl)acetamide is sourced from PubChem (CID 47772000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).