4-(2,5-dioxopyrrolidin-1-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide

C17H12N4O5 — CID 4253232

IUPAC4-(2,5-dioxopyrrolidin-1-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(-c2ccco2)o1)c1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C17H12N4O5/c22-13-7-8-14(23)21(13)11-5-3-10(4-6-11)15(24)18-17-20-19-16(26-17)12-2-1-9-25-12/h1-6,9H,7-8H2,(H,18,20,24)
InChIKeyUSHQQJJBKQJXDO-UHFFFAOYSA-N
MW352.31 g/mol
LogP2.24
Rot. Bonds4

About 4-(2,5-dioxopyrrolidin-1-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide

4-(2,5-dioxopyrrolidin-1-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 4253232) has the molecular formula C17H12N4O5 and a molecular weight of 352.31 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrolidin-1-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrolidin-1-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID4253232
Molecular FormulaC17H12N4O5
Molecular Weight352.31 g/mol
Exact Mass352.08
IUPAC Name4-(2,5-dioxopyrrolidin-1-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(-c2ccco2)o1)c1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C17H12N4O5/c22-13-7-8-14(23)21(13)11-5-3-10(4-6-11)15(24)18-17-20-19-16(26-17)12-2-1-9-25-12/h1-6,9H,7-8H2,(H,18,20,24)
InChIKeyUSHQQJJBKQJXDO-UHFFFAOYSA-N
XLogP2.24
TPSA118.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-(2,5-dioxopyrrolidin-1-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4050558
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylacetamide
CID 4154351
N-(5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)-3-methylbenzamide
CID 4462598
4-[4-[5-(Furan-2-yl)-1,3,4-oxadiazol-2-yl]anilino]-4-oxobutanoic acid
CID 738066
N-(4-(5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)phenyl)-2-phenoxyacetamide
CID 660304
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 2533856
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 3430781
4-[ethyl(phenyl)sulfamoyl]-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4614366
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide
CID 4656855
N-(4-Acetyl-phenyl)-2-(5-furan-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CID 865361
N-(4-(5-(Furan-2-yl)-1,3,4-oxadiazol-2-yl)phenyl)-2-phenylacetamide
CID 707381
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4228042

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide (CID 4253232) is 4-(2,5-dioxopyrrolidin-1-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-(2,5-dioxopyrrolidin-1-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-(2,5-dioxopyrrolidin-1-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide is O=C(Nc1nnc(-c2ccco2)o1)c1ccc(N2C(=O)CCC2=O)cc1.
What is the InChIKey of 4-(2,5-dioxopyrrolidin-1-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is USHQQJJBKQJXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O5/c22-13-7-8-14(23)21(13)11-5-3-10(4-6-11)15(24)18-17-20-19-16(26-17)12-2-1-9-25-12/h1-6,9H,7-8H2,(H,18,20,24).
What are the key properties of 4-(2,5-dioxopyrrolidin-1-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?
4-(2,5-dioxopyrrolidin-1-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 352.31 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrolidin-1-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 4253232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).