2-(2,5-dioxopyrrolidin-1-yl)-N-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]acetamide

C15H11F3N4O5 — CID 52904181

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-N-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]acetamide
SMILESO=C(CN1C(=O)CCC1=O)Nc1nnc(-c2ccc(OC(F)(F)F)cc2)o1
InChIInChI=1S/C15H11F3N4O5/c16-15(17,18)27-9-3-1-8(2-4-9)13-20-21-14(26-13)19-10(23)7-22-11(24)5-6-12(22)25/h1-4H,5-7H2,(H,19,21,23)
InChIKeyWWFAEYVSVBECMT-UHFFFAOYSA-N
MW384.27 g/mol
LogP1.72
Rot. Bonds5

About 2-(2,5-dioxopyrrolidin-1-yl)-N-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]acetamide

2-(2,5-dioxopyrrolidin-1-yl)-N-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 52904181) has the molecular formula C15H11F3N4O5 and a molecular weight of 384.27 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-N-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-N-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID52904181
Molecular FormulaC15H11F3N4O5
Molecular Weight384.27 g/mol
Exact Mass384.07
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-N-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]acetamide
SMILESO=C(CN1C(=O)CCC1=O)Nc1nnc(-c2ccc(OC(F)(F)F)cc2)o1
InChIInChI=1S/C15H11F3N4O5/c16-15(17,18)27-9-3-1-8(2-4-9)13-20-21-14(26-13)19-10(23)7-22-11(24)5-6-12(22)25/h1-4H,5-7H2,(H,19,21,23)
InChIKeyWWFAEYVSVBECMT-UHFFFAOYSA-N
XLogP1.72
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.27
LogP ≤ 51.72
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 2-(2,5-dioxopyrrolidin-1-yl)-N-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]acetamide (CID 52904181) is 2-(2,5-dioxopyrrolidin-1-yl)-N-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-N-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-N-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]acetamide is O=C(CN1C(=O)CCC1=O)Nc1nnc(-c2ccc(OC(F)(F)F)cc2)o1.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-N-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is WWFAEYVSVBECMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O5/c16-15(17,18)27-9-3-1-8(2-4-9)13-20-21-14(26-13)19-10(23)7-22-11(24)5-6-12(22)25/h1-4H,5-7H2,(H,19,21,23).
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-N-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]acetamide?
2-(2,5-dioxopyrrolidin-1-yl)-N-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 384.27 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)-N-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 52904181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).