5-(fluoromethyl)-1,3-oxazol-2-amine

C4H5FN2O — CID 84762081

IUPAC5-(fluoromethyl)-1,3-oxazol-2-amine
SMILESNc1ncc(CF)o1
InChIInChI=1S/C4H5FN2O/c5-1-3-2-7-4(6)8-3/h2H,1H2,(H2,6,7)
InChIKeyXTGCHPSZLHZQMQ-UHFFFAOYSA-N
MW116.09 g/mol
LogP0.73
Rot. Bonds1

About 5-(fluoromethyl)-1,3-oxazol-2-amine

5-(fluoromethyl)-1,3-oxazol-2-amine (PubChem CID 84762081) has the molecular formula C4H5FN2O and a molecular weight of 116.09 g/mol. Its IUPAC name is 5-(fluoromethyl)-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-(fluoromethyl)-1,3-oxazol-2-amine
PubChem CID84762081
Molecular FormulaC4H5FN2O
Molecular Weight116.09 g/mol
Exact Mass116.04
IUPAC Name5-(fluoromethyl)-1,3-oxazol-2-amine
SMILESNc1ncc(CF)o1
InChIInChI=1S/C4H5FN2O/c5-1-3-2-7-4(6)8-3/h2H,1H2,(H2,6,7)
InChIKeyXTGCHPSZLHZQMQ-UHFFFAOYSA-N
XLogP0.73
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.09
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-1,3-oxazol-2-amine?
The IUPAC name of 5-(fluoromethyl)-1,3-oxazol-2-amine (CID 84762081) is 5-(fluoromethyl)-1,3-oxazol-2-amine.
What is the SMILES notation for 5-(fluoromethyl)-1,3-oxazol-2-amine?
The canonical SMILES for 5-(fluoromethyl)-1,3-oxazol-2-amine is Nc1ncc(CF)o1.
What is the InChIKey of 5-(fluoromethyl)-1,3-oxazol-2-amine?
The InChIKey is XTGCHPSZLHZQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FN2O/c5-1-3-2-7-4(6)8-3/h2H,1H2,(H2,6,7).
What are the key properties of 5-(fluoromethyl)-1,3-oxazol-2-amine?
5-(fluoromethyl)-1,3-oxazol-2-amine has a molecular weight of 116.09 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-1,3-oxazol-2-amine is sourced from PubChem (CID 84762081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).