[2-(trifluoromethyl)-1,3-oxazol-4-yl]methanamine

C5H5F3N2O — CID 84652277

IUPAC[2-(trifluoromethyl)-1,3-oxazol-4-yl]methanamine
SMILESNCc1coc(C(F)(F)F)n1
InChIInChI=1S/C5H5F3N2O/c6-5(7,8)4-10-3(1-9)2-11-4/h2H,1,9H2
InChIKeyNCDGBPNIPDNTIN-UHFFFAOYSA-N
MW166.10 g/mol
LogP1.15
Rot. Bonds1

About [2-(trifluoromethyl)-1,3-oxazol-4-yl]methanamine

[2-(trifluoromethyl)-1,3-oxazol-4-yl]methanamine (PubChem CID 84652277) has the molecular formula C5H5F3N2O and a molecular weight of 166.10 g/mol. Its IUPAC name is [2-(trifluoromethyl)-1,3-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(trifluoromethyl)-1,3-oxazol-4-yl]methanamine
PubChem CID84652277
Molecular FormulaC5H5F3N2O
Molecular Weight166.10 g/mol
Exact Mass166.04
IUPAC Name[2-(trifluoromethyl)-1,3-oxazol-4-yl]methanamine
SMILESNCc1coc(C(F)(F)F)n1
InChIInChI=1S/C5H5F3N2O/c6-5(7,8)4-10-3(1-9)2-11-4/h2H,1,9H2
InChIKeyNCDGBPNIPDNTIN-UHFFFAOYSA-N
XLogP1.15
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.10
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(trifluoromethyl)-1,3-oxazol-4-yl]methanamine?
The IUPAC name of [2-(trifluoromethyl)-1,3-oxazol-4-yl]methanamine (CID 84652277) is [2-(trifluoromethyl)-1,3-oxazol-4-yl]methanamine.
What is the SMILES notation for [2-(trifluoromethyl)-1,3-oxazol-4-yl]methanamine?
The canonical SMILES for [2-(trifluoromethyl)-1,3-oxazol-4-yl]methanamine is NCc1coc(C(F)(F)F)n1.
What is the InChIKey of [2-(trifluoromethyl)-1,3-oxazol-4-yl]methanamine?
The InChIKey is NCDGBPNIPDNTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2O/c6-5(7,8)4-10-3(1-9)2-11-4/h2H,1,9H2.
What are the key properties of [2-(trifluoromethyl)-1,3-oxazol-4-yl]methanamine?
[2-(trifluoromethyl)-1,3-oxazol-4-yl]methanamine has a molecular weight of 166.10 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(trifluoromethyl)-1,3-oxazol-4-yl]methanamine is sourced from PubChem (CID 84652277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).