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

C6H10FN3O — CID 106398697

IUPAC3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine
SMILESFCCCNCc1ncon1
InChIInChI=1S/C6H10FN3O/c7-2-1-3-8-4-6-9-5-11-10-6/h5,8H,1-4H2
InChIKeyQGSSOSLYNAGPOS-UHFFFAOYSA-N
MW159.16 g/mol
LogP0.52
Rot. Bonds5

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

3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine (PubChem CID 106398697) has the molecular formula C6H10FN3O and a molecular weight of 159.16 g/mol. Its IUPAC name is 3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine
PubChem CID106398697
Molecular FormulaC6H10FN3O
Molecular Weight159.16 g/mol
Exact Mass159.08
IUPAC Name3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine
SMILESFCCCNCc1ncon1
InChIInChI=1S/C6H10FN3O/c7-2-1-3-8-4-6-9-5-11-10-6/h5,8H,1-4H2
InChIKeyQGSSOSLYNAGPOS-UHFFFAOYSA-N
XLogP0.52
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.16
LogP ≤ 50.52
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-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine?
The IUPAC name of 3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine (CID 106398697) is 3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine?
The canonical SMILES for 3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine is FCCCNCc1ncon1.
What is the InChIKey of 3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine?
The InChIKey is QGSSOSLYNAGPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN3O/c7-2-1-3-8-4-6-9-5-11-10-6/h5,8H,1-4H2.
What are the key properties of 3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine?
3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine has a molecular weight of 159.16 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 106398697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).