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

C13H15F3N2O2 — CID 59173166

IUPAC4-methyl-4-[2-[3-(trifluoromethyl)phenoxy]ethyl]-5H-1,3-oxazol-2-amine
SMILESCC1(CCOc2cccc(C(F)(F)F)c2)COC(N)=N1
InChIInChI=1S/C13H15F3N2O2/c1-12(8-20-11(17)18-12)5-6-19-10-4-2-3-9(7-10)13(14,15)16/h2-4,7H,5-6,8H2,1H3,(H2,17,18)
InChIKeyMUFMNPIQUOUGJJ-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.58
Rot. Bonds4

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

4-methyl-4-[2-[3-(trifluoromethyl)phenoxy]ethyl]-5H-1,3-oxazol-2-amine (PubChem CID 59173166) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 4-methyl-4-[2-[3-(trifluoromethyl)phenoxy]ethyl]-5H-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-methyl-4-[2-[3-(trifluoromethyl)phenoxy]ethyl]-5H-1,3-oxazol-2-amine
PubChem CID59173166
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name4-methyl-4-[2-[3-(trifluoromethyl)phenoxy]ethyl]-5H-1,3-oxazol-2-amine
SMILESCC1(CCOc2cccc(C(F)(F)F)c2)COC(N)=N1
InChIInChI=1S/C13H15F3N2O2/c1-12(8-20-11(17)18-12)5-6-19-10-4-2-3-9(7-10)13(14,15)16/h2-4,7H,5-6,8H2,1H3,(H2,17,18)
InChIKeyMUFMNPIQUOUGJJ-UHFFFAOYSA-N
XLogP2.58
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[2-[3-(trifluoromethyl)phenoxy]ethyl]-5H-1,3-oxazol-2-amine?
The IUPAC name of 4-methyl-4-[2-[3-(trifluoromethyl)phenoxy]ethyl]-5H-1,3-oxazol-2-amine (CID 59173166) is 4-methyl-4-[2-[3-(trifluoromethyl)phenoxy]ethyl]-5H-1,3-oxazol-2-amine.
What is the SMILES notation for 4-methyl-4-[2-[3-(trifluoromethyl)phenoxy]ethyl]-5H-1,3-oxazol-2-amine?
The canonical SMILES for 4-methyl-4-[2-[3-(trifluoromethyl)phenoxy]ethyl]-5H-1,3-oxazol-2-amine is CC1(CCOc2cccc(C(F)(F)F)c2)COC(N)=N1.
What is the InChIKey of 4-methyl-4-[2-[3-(trifluoromethyl)phenoxy]ethyl]-5H-1,3-oxazol-2-amine?
The InChIKey is MUFMNPIQUOUGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c1-12(8-20-11(17)18-12)5-6-19-10-4-2-3-9(7-10)13(14,15)16/h2-4,7H,5-6,8H2,1H3,(H2,17,18).
What are the key properties of 4-methyl-4-[2-[3-(trifluoromethyl)phenoxy]ethyl]-5H-1,3-oxazol-2-amine?
4-methyl-4-[2-[3-(trifluoromethyl)phenoxy]ethyl]-5H-1,3-oxazol-2-amine has a molecular weight of 288.27 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[2-[3-(trifluoromethyl)phenoxy]ethyl]-5H-1,3-oxazol-2-amine is sourced from PubChem (CID 59173166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).