5-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)pentanamide

C8H12BrN3O2 — CID 106395519

IUPAC5-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)pentanamide
SMILESO=C(CCCCBr)NCc1ncon1
InChIInChI=1S/C8H12BrN3O2/c9-4-2-1-3-8(13)10-5-7-11-6-14-12-7/h6H,1-5H2,(H,10,13)
InChIKeyVNUNAHVUHVOZFR-UHFFFAOYSA-N
MW262.11 g/mol
LogP1.25
Rot. Bonds6

About 5-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)pentanamide

5-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)pentanamide (PubChem CID 106395519) has the molecular formula C8H12BrN3O2 and a molecular weight of 262.11 g/mol. Its IUPAC name is 5-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)pentanamide.

Molecular Properties

Compound Name5-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)pentanamide
PubChem CID106395519
Molecular FormulaC8H12BrN3O2
Molecular Weight262.11 g/mol
Exact Mass261.01
IUPAC Name5-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)pentanamide
SMILESO=C(CCCCBr)NCc1ncon1
InChIInChI=1S/C8H12BrN3O2/c9-4-2-1-3-8(13)10-5-7-11-6-14-12-7/h6H,1-5H2,(H,10,13)
InChIKeyVNUNAHVUHVOZFR-UHFFFAOYSA-N
XLogP1.25
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.11
LogP ≤ 51.25
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'}

Analyze 5-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)pentanamide?
The IUPAC name of 5-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)pentanamide (CID 106395519) is 5-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)pentanamide.
What is the SMILES notation for 5-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)pentanamide?
The canonical SMILES for 5-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)pentanamide is O=C(CCCCBr)NCc1ncon1.
What is the InChIKey of 5-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)pentanamide?
The InChIKey is VNUNAHVUHVOZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O2/c9-4-2-1-3-8(13)10-5-7-11-6-14-12-7/h6H,1-5H2,(H,10,13).
What are the key properties of 5-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)pentanamide?
5-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)pentanamide has a molecular weight of 262.11 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)pentanamide is sourced from PubChem (CID 106395519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).