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

C5H5F3N2O — CID 82414382

IUPAC[3-(trifluoromethyl)-1,2-oxazol-4-yl]methanamine
SMILESNCc1conc1C(F)(F)F
InChIInChI=1S/C5H5F3N2O/c6-5(7,8)4-3(1-9)2-11-10-4/h2H,1,9H2
InChIKeyNVOGDGXLTUISBZ-UHFFFAOYSA-N
MW166.10 g/mol
LogP1.15
Rot. Bonds1

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

[3-(trifluoromethyl)-1,2-oxazol-4-yl]methanamine (PubChem CID 82414382) has the molecular formula C5H5F3N2O and a molecular weight of 166.10 g/mol. Its IUPAC name is [3-(trifluoromethyl)-1,2-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-(trifluoromethyl)-1,2-oxazol-4-yl]methanamine
PubChem CID82414382
Molecular FormulaC5H5F3N2O
Molecular Weight166.10 g/mol
Exact Mass166.04
IUPAC Name[3-(trifluoromethyl)-1,2-oxazol-4-yl]methanamine
SMILESNCc1conc1C(F)(F)F
InChIInChI=1S/C5H5F3N2O/c6-5(7,8)4-3(1-9)2-11-10-4/h2H,1,9H2
InChIKeyNVOGDGXLTUISBZ-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 [3-(trifluoromethyl)-1,2-oxazol-4-yl]methanamine?
The IUPAC name of [3-(trifluoromethyl)-1,2-oxazol-4-yl]methanamine (CID 82414382) is [3-(trifluoromethyl)-1,2-oxazol-4-yl]methanamine.
What is the SMILES notation for [3-(trifluoromethyl)-1,2-oxazol-4-yl]methanamine?
The canonical SMILES for [3-(trifluoromethyl)-1,2-oxazol-4-yl]methanamine is NCc1conc1C(F)(F)F.
What is the InChIKey of [3-(trifluoromethyl)-1,2-oxazol-4-yl]methanamine?
The InChIKey is NVOGDGXLTUISBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2O/c6-5(7,8)4-3(1-9)2-11-10-4/h2H,1,9H2.
What are the key properties of [3-(trifluoromethyl)-1,2-oxazol-4-yl]methanamine?
[3-(trifluoromethyl)-1,2-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 [3-(trifluoromethyl)-1,2-oxazol-4-yl]methanamine is sourced from PubChem (CID 82414382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).