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

C17H12N4O5 — CID 4050558

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(-c2ccco2)o1)c1cccc(N2C(=O)CCC2=O)c1
InChIInChI=1S/C17H12N4O5/c22-13-6-7-14(23)21(13)11-4-1-3-10(9-11)15(24)18-17-20-19-16(26-17)12-5-2-8-25-12/h1-5,8-9H,6-7H2,(H,18,20,24)
InChIKeyDJEDVDIHYVRYFQ-UHFFFAOYSA-N
MW352.31 g/mol
LogP2.24
Rot. Bonds4

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

3-(2,5-dioxopyrrolidin-1-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 4050558) has the molecular formula C17H12N4O5 and a molecular weight of 352.31 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID4050558
Molecular FormulaC17H12N4O5
Molecular Weight352.31 g/mol
Exact Mass352.08
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(-c2ccco2)o1)c1cccc(N2C(=O)CCC2=O)c1
InChIInChI=1S/C17H12N4O5/c22-13-6-7-14(23)21(13)11-4-1-3-10(9-11)15(24)18-17-20-19-16(26-17)12-5-2-8-25-12/h1-5,8-9H,6-7H2,(H,18,20,24)
InChIKeyDJEDVDIHYVRYFQ-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

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
2-fluoro-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 815835
Sdccgsbi-0661686.P001
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-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-methylbenzamide
CID 4062266
4-(2,5-dioxopyrrolidin-1-yl)-N-(5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)benzamide
CID 4253232
N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 2953673
3-cyclohexyl-N-{3-[5-(2-furyl)-1,3,4-oxadiazol-2-yl]phenyl}propanamide
CID 2231793
2-fluoro-N-[2-fluoro-3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 135347098

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide (CID 4050558) is 3-(2,5-dioxopyrrolidin-1-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide is O=C(Nc1nnc(-c2ccco2)o1)c1cccc(N2C(=O)CCC2=O)c1.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is DJEDVDIHYVRYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O5/c22-13-6-7-14(23)21(13)11-4-1-3-10(9-11)15(24)18-17-20-19-16(26-17)12-5-2-8-25-12/h1-5,8-9H,6-7H2,(H,18,20,24).
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?
3-(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 3-(2,5-dioxopyrrolidin-1-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 4050558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).