5-[[3-(trifluoromethyl)phenoxy]methyl]-4,5-dihydro-1,3-oxazol-2-amine

C11H11F3N2O2 — CID 23274871

IUPAC5-[[3-(trifluoromethyl)phenoxy]methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=NCC(COc2cccc(C(F)(F)F)c2)O1
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)7-2-1-3-8(4-7)17-6-9-5-16-10(15)18-9/h1-4,9H,5-6H2,(H2,15,16)
InChIKeyCJYPDBMYJJSJJF-UHFFFAOYSA-N
MW260.22 g/mol
LogP1.80
Rot. Bonds3

About 5-[[3-(trifluoromethyl)phenoxy]methyl]-4,5-dihydro-1,3-oxazol-2-amine

5-[[3-(trifluoromethyl)phenoxy]methyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 23274871) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.22 g/mol. Its IUPAC name is 5-[[3-(trifluoromethyl)phenoxy]methyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-[[3-(trifluoromethyl)phenoxy]methyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID23274871
Molecular FormulaC11H11F3N2O2
Molecular Weight260.22 g/mol
Exact Mass260.08
IUPAC Name5-[[3-(trifluoromethyl)phenoxy]methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=NCC(COc2cccc(C(F)(F)F)c2)O1
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)7-2-1-3-8(4-7)17-6-9-5-16-10(15)18-9/h1-4,9H,5-6H2,(H2,15,16)
InChIKeyCJYPDBMYJJSJJF-UHFFFAOYSA-N
XLogP1.80
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(trifluoromethyl)phenoxy]methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of 5-[[3-(trifluoromethyl)phenoxy]methyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 23274871) is 5-[[3-(trifluoromethyl)phenoxy]methyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for 5-[[3-(trifluoromethyl)phenoxy]methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for 5-[[3-(trifluoromethyl)phenoxy]methyl]-4,5-dihydro-1,3-oxazol-2-amine is NC1=NCC(COc2cccc(C(F)(F)F)c2)O1.
What is the InChIKey of 5-[[3-(trifluoromethyl)phenoxy]methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is CJYPDBMYJJSJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2/c12-11(13,14)7-2-1-3-8(4-7)17-6-9-5-16-10(15)18-9/h1-4,9H,5-6H2,(H2,15,16).
What are the key properties of 5-[[3-(trifluoromethyl)phenoxy]methyl]-4,5-dihydro-1,3-oxazol-2-amine?
5-[[3-(trifluoromethyl)phenoxy]methyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 260.22 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(trifluoromethyl)phenoxy]methyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 23274871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).