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

C6H7F3N2O2 — CID 174392501

IUPAC2-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]oxy]ethanamine
SMILESNCCOc1cc(C(F)(F)F)on1
InChIInChI=1S/C6H7F3N2O2/c7-6(8,9)4-3-5(11-13-4)12-2-1-10/h3H,1-2,10H2
InChIKeyRZXJMMSVDJFZJZ-UHFFFAOYSA-N
MW196.13 g/mol
LogP1.03
Rot. Bonds3

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

2-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]oxy]ethanamine (PubChem CID 174392501) has the molecular formula C6H7F3N2O2 and a molecular weight of 196.13 g/mol. Its IUPAC name is 2-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]oxy]ethanamine.

Molecular Properties

Compound Name2-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]oxy]ethanamine
PubChem CID174392501
Molecular FormulaC6H7F3N2O2
Molecular Weight196.13 g/mol
Exact Mass196.05
IUPAC Name2-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]oxy]ethanamine
SMILESNCCOc1cc(C(F)(F)F)on1
InChIInChI=1S/C6H7F3N2O2/c7-6(8,9)4-3-5(11-13-4)12-2-1-10/h3H,1-2,10H2
InChIKeyRZXJMMSVDJFZJZ-UHFFFAOYSA-N
XLogP1.03
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.13
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2S)-azetidin-2-yl]methoxy]-5-methyl-1,2-oxazole
CID 56949762
3-Methoxy-5-isoxazolemethanamine
CID 2763227
5-Methyl-3-(2,2,2-trifluoroethoxy)-1,2-oxazole
CID 90278805
5-Methyl-3-(trifluoromethoxy)-1,2-oxazole
CID 118466345
5-(Bromomethyl)-3-(3,3,3-trifluoropropoxy)-1,2-oxazole
CID 140243966
5-(Bromomethyl)-3-(2,2-difluoroethoxy)-1,2-oxazole
CID 140244008
5-(Bromomethyl)-3-(2,2,2-trifluoroethoxy)-1,2-oxazole
CID 140244080
3-[[5-(Trifluoromethyl)-1,2-oxazol-3-yl]oxy]cyclopentan-1-amine
CID 166925147
3-(2,2-Difluoropropoxy)-5-methyl-1,2-oxazole
CID 168168728
3-[(1-Fluorocyclopropyl)methoxy]-5-methyl-1,2-oxazole
CID 168168872
3-(2,2-Difluoroethoxy)-5-methyl-1,2-oxazole
CID 168168930
3-(1,1-Difluoropropan-2-yloxy)-5-methyl-1,2-oxazole
CID 168169060

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]oxy]ethanamine?
The IUPAC name of 2-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]oxy]ethanamine (CID 174392501) is 2-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]oxy]ethanamine.
What is the SMILES notation for 2-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]oxy]ethanamine?
The canonical SMILES for 2-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]oxy]ethanamine is NCCOc1cc(C(F)(F)F)on1.
What is the InChIKey of 2-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]oxy]ethanamine?
The InChIKey is RZXJMMSVDJFZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2O2/c7-6(8,9)4-3-5(11-13-4)12-2-1-10/h3H,1-2,10H2.
What are the key properties of 2-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]oxy]ethanamine?
2-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]oxy]ethanamine has a molecular weight of 196.13 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]oxy]ethanamine is sourced from PubChem (CID 174392501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).