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

C5H6ClF3N2O — CID 170910962

IUPAC[3-(trifluoromethyl)-1,2-oxazol-4-yl]methanamine;hydrochloride
SMILESCl.NCc1conc1C(F)(F)F
InChIInChI=1S/C5H5F3N2O.ClH/c6-5(7,8)4-3(1-9)2-11-10-4;/h2H,1,9H2;1H
InChIKeyNAAXUOZSGHJCCA-UHFFFAOYSA-N
MW202.56 g/mol
LogP1.57
Rot. Bonds1

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

[3-(trifluoromethyl)-1,2-oxazol-4-yl]methanamine;hydrochloride (PubChem CID 170910962) has the molecular formula C5H6ClF3N2O and a molecular weight of 202.56 g/mol. Its IUPAC name is [3-(trifluoromethyl)-1,2-oxazol-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-(trifluoromethyl)-1,2-oxazol-4-yl]methanamine;hydrochloride
PubChem CID170910962
Molecular FormulaC5H6ClF3N2O
Molecular Weight202.56 g/mol
Exact Mass202.01
IUPAC Name[3-(trifluoromethyl)-1,2-oxazol-4-yl]methanamine;hydrochloride
SMILESCl.NCc1conc1C(F)(F)F
InChIInChI=1S/C5H5F3N2O.ClH/c6-5(7,8)4-3(1-9)2-11-10-4;/h2H,1,9H2;1H
InChIKeyNAAXUOZSGHJCCA-UHFFFAOYSA-N
XLogP1.57
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.56
LogP ≤ 51.57
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;hydrochloride?
The IUPAC name of [3-(trifluoromethyl)-1,2-oxazol-4-yl]methanamine;hydrochloride (CID 170910962) is [3-(trifluoromethyl)-1,2-oxazol-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [3-(trifluoromethyl)-1,2-oxazol-4-yl]methanamine;hydrochloride?
The canonical SMILES for [3-(trifluoromethyl)-1,2-oxazol-4-yl]methanamine;hydrochloride is Cl.NCc1conc1C(F)(F)F.
What is the InChIKey of [3-(trifluoromethyl)-1,2-oxazol-4-yl]methanamine;hydrochloride?
The InChIKey is NAAXUOZSGHJCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2O.ClH/c6-5(7,8)4-3(1-9)2-11-10-4;/h2H,1,9H2;1H.
What are the key properties of [3-(trifluoromethyl)-1,2-oxazol-4-yl]methanamine;hydrochloride?
[3-(trifluoromethyl)-1,2-oxazol-4-yl]methanamine;hydrochloride has a molecular weight of 202.56 g/mol, XLogP of 1.57, 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;hydrochloride is sourced from PubChem (CID 170910962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).