2-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine

C5H8FN3O — CID 106398666

IUPAC2-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
SMILESFCCNCc1ncon1
InChIInChI=1S/C5H8FN3O/c6-1-2-7-3-5-8-4-10-9-5/h4,7H,1-3H2
InChIKeyWCDDJIOFHRQNEF-UHFFFAOYSA-N
MW145.14 g/mol
LogP0.13
Rot. Bonds4

About 2-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine

2-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine (PubChem CID 106398666) has the molecular formula C5H8FN3O and a molecular weight of 145.14 g/mol. Its IUPAC name is 2-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
PubChem CID106398666
Molecular FormulaC5H8FN3O
Molecular Weight145.14 g/mol
Exact Mass145.07
IUPAC Name2-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
SMILESFCCNCc1ncon1
InChIInChI=1S/C5H8FN3O/c6-1-2-7-3-5-8-4-10-9-5/h4,7H,1-3H2
InChIKeyWCDDJIOFHRQNEF-UHFFFAOYSA-N
XLogP0.13
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.14
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine?
The IUPAC name of 2-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine (CID 106398666) is 2-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine?
The canonical SMILES for 2-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine is FCCNCc1ncon1.
What is the InChIKey of 2-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine?
The InChIKey is WCDDJIOFHRQNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN3O/c6-1-2-7-3-5-8-4-10-9-5/h4,7H,1-3H2.
What are the key properties of 2-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine?
2-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine has a molecular weight of 145.14 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine is sourced from PubChem (CID 106398666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).