2-[2-(fluoromethyl)-1,3-oxazol-4-yl]ethanamine

C6H9FN2O — CID 84762826

IUPAC2-[2-(fluoromethyl)-1,3-oxazol-4-yl]ethanamine
SMILESNCCc1coc(CF)n1
InChIInChI=1S/C6H9FN2O/c7-3-6-9-5(1-2-8)4-10-6/h4H,1-3,8H2
InChIKeyWBLZHZASAPACEL-UHFFFAOYSA-N
MW144.15 g/mol
LogP0.65
Rot. Bonds3

About 2-[2-(fluoromethyl)-1,3-oxazol-4-yl]ethanamine

2-[2-(fluoromethyl)-1,3-oxazol-4-yl]ethanamine (PubChem CID 84762826) has the molecular formula C6H9FN2O and a molecular weight of 144.15 g/mol. Its IUPAC name is 2-[2-(fluoromethyl)-1,3-oxazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(fluoromethyl)-1,3-oxazol-4-yl]ethanamine
PubChem CID84762826
Molecular FormulaC6H9FN2O
Molecular Weight144.15 g/mol
Exact Mass144.07
IUPAC Name2-[2-(fluoromethyl)-1,3-oxazol-4-yl]ethanamine
SMILESNCCc1coc(CF)n1
InChIInChI=1S/C6H9FN2O/c7-3-6-9-5(1-2-8)4-10-6/h4H,1-3,8H2
InChIKeyWBLZHZASAPACEL-UHFFFAOYSA-N
XLogP0.65
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.15
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(fluoromethyl)-1,3-oxazol-4-yl]ethanamine?
The IUPAC name of 2-[2-(fluoromethyl)-1,3-oxazol-4-yl]ethanamine (CID 84762826) is 2-[2-(fluoromethyl)-1,3-oxazol-4-yl]ethanamine.
What is the SMILES notation for 2-[2-(fluoromethyl)-1,3-oxazol-4-yl]ethanamine?
The canonical SMILES for 2-[2-(fluoromethyl)-1,3-oxazol-4-yl]ethanamine is NCCc1coc(CF)n1.
What is the InChIKey of 2-[2-(fluoromethyl)-1,3-oxazol-4-yl]ethanamine?
The InChIKey is WBLZHZASAPACEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2O/c7-3-6-9-5(1-2-8)4-10-6/h4H,1-3,8H2.
What are the key properties of 2-[2-(fluoromethyl)-1,3-oxazol-4-yl]ethanamine?
2-[2-(fluoromethyl)-1,3-oxazol-4-yl]ethanamine has a molecular weight of 144.15 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(fluoromethyl)-1,3-oxazol-4-yl]ethanamine is sourced from PubChem (CID 84762826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).