N-[5-[(2,5-dioxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide

C15H14N4O5 — CID 5066975

IUPACN-[5-[(2,5-dioxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1nnc(CN2C(=O)CCC2=O)o1
InChIInChI=1S/C15H14N4O5/c20-11(9-23-10-4-2-1-3-5-10)16-15-18-17-12(24-15)8-19-13(21)6-7-14(19)22/h1-5H,6-9H2,(H,16,18,20)
InChIKeyBCSXENYZDSKWLT-UHFFFAOYSA-N
MW330.30 g/mol
LogP0.74
Rot. Bonds6

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

N-[5-[(2,5-dioxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide (PubChem CID 5066975) has the molecular formula C15H14N4O5 and a molecular weight of 330.30 g/mol. Its IUPAC name is N-[5-[(2,5-dioxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[5-[(2,5-dioxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide
PubChem CID5066975
Molecular FormulaC15H14N4O5
Molecular Weight330.30 g/mol
Exact Mass330.10
IUPAC NameN-[5-[(2,5-dioxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1nnc(CN2C(=O)CCC2=O)o1
InChIInChI=1S/C15H14N4O5/c20-11(9-23-10-4-2-1-3-5-10)16-15-18-17-12(24-15)8-19-13(21)6-7-14(19)22/h1-5H,6-9H2,(H,16,18,20)
InChIKeyBCSXENYZDSKWLT-UHFFFAOYSA-N
XLogP0.74
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,5-dioxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide?
The IUPAC name of N-[5-[(2,5-dioxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide (CID 5066975) is N-[5-[(2,5-dioxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[5-[(2,5-dioxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[5-[(2,5-dioxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1nnc(CN2C(=O)CCC2=O)o1.
What is the InChIKey of N-[5-[(2,5-dioxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide?
The InChIKey is BCSXENYZDSKWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O5/c20-11(9-23-10-4-2-1-3-5-10)16-15-18-17-12(24-15)8-19-13(21)6-7-14(19)22/h1-5H,6-9H2,(H,16,18,20).
What are the key properties of N-[5-[(2,5-dioxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide?
N-[5-[(2,5-dioxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide has a molecular weight of 330.30 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,5-dioxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide is sourced from PubChem (CID 5066975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).