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

C11H9F3N2O2 — CID 117216218

IUPAC4-[[4-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-5-amine
SMILESNc1oncc1COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H9F3N2O2/c12-11(13,14)8-1-3-9(4-2-8)17-6-7-5-16-18-10(7)15/h1-5H,6,15H2
InChIKeyLKHPBWFCFHPTEJ-UHFFFAOYSA-N
MW258.20 g/mol
LogP2.85
Rot. Bonds3

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

4-[[4-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-5-amine (PubChem CID 117216218) has the molecular formula C11H9F3N2O2 and a molecular weight of 258.20 g/mol. Its IUPAC name is 4-[[4-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-[[4-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-5-amine
PubChem CID117216218
Molecular FormulaC11H9F3N2O2
Molecular Weight258.20 g/mol
Exact Mass258.06
IUPAC Name4-[[4-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-5-amine
SMILESNc1oncc1COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H9F3N2O2/c12-11(13,14)8-1-3-9(4-2-8)17-6-7-5-16-18-10(7)15/h1-5H,6,15H2
InChIKeyLKHPBWFCFHPTEJ-UHFFFAOYSA-N
XLogP2.85
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-5-amine?
The IUPAC name of 4-[[4-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-5-amine (CID 117216218) is 4-[[4-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 4-[[4-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-5-amine?
The canonical SMILES for 4-[[4-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-5-amine is Nc1oncc1COc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-[[4-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-5-amine?
The InChIKey is LKHPBWFCFHPTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O2/c12-11(13,14)8-1-3-9(4-2-8)17-6-7-5-16-18-10(7)15/h1-5H,6,15H2.
What are the key properties of 4-[[4-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-5-amine?
4-[[4-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-5-amine has a molecular weight of 258.20 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 117216218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).