3-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine

C7H12FN3O — CID 106400494

IUPAC3-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
SMILESFCCCNCCc1ncon1
InChIInChI=1S/C7H12FN3O/c8-3-1-4-9-5-2-7-10-6-12-11-7/h6,9H,1-5H2
InChIKeyAAETYOHDCYHZSY-UHFFFAOYSA-N
MW173.19 g/mol
LogP0.56
Rot. Bonds6

About 3-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine

3-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine (PubChem CID 106400494) has the molecular formula C7H12FN3O and a molecular weight of 173.19 g/mol. Its IUPAC name is 3-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
PubChem CID106400494
Molecular FormulaC7H12FN3O
Molecular Weight173.19 g/mol
Exact Mass173.10
IUPAC Name3-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
SMILESFCCCNCCc1ncon1
InChIInChI=1S/C7H12FN3O/c8-3-1-4-9-5-2-7-10-6-12-11-7/h6,9H,1-5H2
InChIKeyAAETYOHDCYHZSY-UHFFFAOYSA-N
XLogP0.56
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 50.56
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 3-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine?
The IUPAC name of 3-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine (CID 106400494) is 3-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine?
The canonical SMILES for 3-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine is FCCCNCCc1ncon1.
What is the InChIKey of 3-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine?
The InChIKey is AAETYOHDCYHZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN3O/c8-3-1-4-9-5-2-7-10-6-12-11-7/h6,9H,1-5H2.
What are the key properties of 3-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine?
3-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine has a molecular weight of 173.19 g/mol, XLogP of 0.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 106400494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).