5-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pentanamide

C9H14BrN3O2 — CID 106395553

IUPAC5-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pentanamide
SMILESO=C(CCCCBr)NCCc1ncno1
InChIInChI=1S/C9H14BrN3O2/c10-5-2-1-3-8(14)11-6-4-9-12-7-13-15-9/h7H,1-6H2,(H,11,14)
InChIKeyISXBPLCEXHUWHX-UHFFFAOYSA-N
MW276.13 g/mol
LogP1.29
Rot. Bonds7

About 5-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pentanamide

5-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pentanamide (PubChem CID 106395553) has the molecular formula C9H14BrN3O2 and a molecular weight of 276.13 g/mol. Its IUPAC name is 5-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pentanamide.

Molecular Properties

Compound Name5-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pentanamide
PubChem CID106395553
Molecular FormulaC9H14BrN3O2
Molecular Weight276.13 g/mol
Exact Mass275.03
IUPAC Name5-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pentanamide
SMILESO=C(CCCCBr)NCCc1ncno1
InChIInChI=1S/C9H14BrN3O2/c10-5-2-1-3-8(14)11-6-4-9-12-7-13-15-9/h7H,1-6H2,(H,11,14)
InChIKeyISXBPLCEXHUWHX-UHFFFAOYSA-N
XLogP1.29
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.13
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pentanamide?
The IUPAC name of 5-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pentanamide (CID 106395553) is 5-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pentanamide.
What is the SMILES notation for 5-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pentanamide?
The canonical SMILES for 5-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pentanamide is O=C(CCCCBr)NCCc1ncno1.
What is the InChIKey of 5-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pentanamide?
The InChIKey is ISXBPLCEXHUWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O2/c10-5-2-1-3-8(14)11-6-4-9-12-7-13-15-9/h7H,1-6H2,(H,11,14).
What are the key properties of 5-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pentanamide?
5-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pentanamide has a molecular weight of 276.13 g/mol, XLogP of 1.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pentanamide is sourced from PubChem (CID 106395553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).