1-[5-(fluoromethyl)-1,3-oxazol-2-yl]ethanamine

C6H9FN2O — CID 84762824

IUPAC1-[5-(fluoromethyl)-1,3-oxazol-2-yl]ethanamine
SMILESCC(N)c1ncc(CF)o1
InChIInChI=1S/C6H9FN2O/c1-4(8)6-9-3-5(2-7)10-6/h3-4H,2,8H2,1H3
InChIKeyGXHWCWRBZJFWBR-UHFFFAOYSA-N
MW144.15 g/mol
LogP1.16
Rot. Bonds2

About 1-[5-(fluoromethyl)-1,3-oxazol-2-yl]ethanamine

1-[5-(fluoromethyl)-1,3-oxazol-2-yl]ethanamine (PubChem CID 84762824) has the molecular formula C6H9FN2O and a molecular weight of 144.15 g/mol. Its IUPAC name is 1-[5-(fluoromethyl)-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(fluoromethyl)-1,3-oxazol-2-yl]ethanamine
PubChem CID84762824
Molecular FormulaC6H9FN2O
Molecular Weight144.15 g/mol
Exact Mass144.07
IUPAC Name1-[5-(fluoromethyl)-1,3-oxazol-2-yl]ethanamine
SMILESCC(N)c1ncc(CF)o1
InChIInChI=1S/C6H9FN2O/c1-4(8)6-9-3-5(2-7)10-6/h3-4H,2,8H2,1H3
InChIKeyGXHWCWRBZJFWBR-UHFFFAOYSA-N
XLogP1.16
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.15
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(fluoromethyl)-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of 1-[5-(fluoromethyl)-1,3-oxazol-2-yl]ethanamine (CID 84762824) is 1-[5-(fluoromethyl)-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(fluoromethyl)-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for 1-[5-(fluoromethyl)-1,3-oxazol-2-yl]ethanamine is CC(N)c1ncc(CF)o1.
What is the InChIKey of 1-[5-(fluoromethyl)-1,3-oxazol-2-yl]ethanamine?
The InChIKey is GXHWCWRBZJFWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2O/c1-4(8)6-9-3-5(2-7)10-6/h3-4H,2,8H2,1H3.
What are the key properties of 1-[5-(fluoromethyl)-1,3-oxazol-2-yl]ethanamine?
1-[5-(fluoromethyl)-1,3-oxazol-2-yl]ethanamine has a molecular weight of 144.15 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(fluoromethyl)-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 84762824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).