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

C11H9F3N2O2 — CID 117216211

IUPAC4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-5-amine
SMILESNc1oncc1COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H9F3N2O2/c12-11(13,14)8-2-1-3-9(4-8)17-6-7-5-16-18-10(7)15/h1-5H,6,15H2
InChIKeyZEAMIFPJXMSGAK-UHFFFAOYSA-N
MW258.20 g/mol
LogP2.85
Rot. Bonds3

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

4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-5-amine (PubChem CID 117216211) has the molecular formula C11H9F3N2O2 and a molecular weight of 258.20 g/mol. Its IUPAC name is 4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-5-amine
PubChem CID117216211
Molecular FormulaC11H9F3N2O2
Molecular Weight258.20 g/mol
Exact Mass258.06
IUPAC Name4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-5-amine
SMILESNc1oncc1COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H9F3N2O2/c12-11(13,14)8-2-1-3-9(4-8)17-6-7-5-16-18-10(7)15/h1-5H,6,15H2
InChIKeyZEAMIFPJXMSGAK-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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Related Compounds

4-[[4-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-5-amine
CID 117216218
3-fluoro-4-[[3-(trifluoromethyl)phenoxy]methyl]aniline
CID 64768298
5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-imidazol-2-amine
CID 117191481
2,4-dichloro-5-[[3-(trifluoromethyl)phenoxy]methyl]pyridine
CID 116519388
2-[[3-(trifluoromethyl)phenoxy]methyl]phenol
CID 117221120
5-[[3-(trifluoromethyl)phenoxy]methyl]-2H-triazol-4-amine
CID 117214169
[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanamine
CID 106907819
1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene
CID 2766200
3-[2-[3-(trifluoromethyl)phenoxy]ethoxy]aniline
CID 43366096
2-[[3-(trifluoromethyl)phenoxy]methyl]furan
CID 101055355
4-bromo-2-fluoro-1-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 60628071
3-chloro-5-(trifluoromethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]pyridine
CID 2780427

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-5-amine?
The IUPAC name of 4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-5-amine (CID 117216211) is 4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-5-amine?
The canonical SMILES for 4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-5-amine is Nc1oncc1COc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-5-amine?
The InChIKey is ZEAMIFPJXMSGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O2/c12-11(13,14)8-2-1-3-9(4-8)17-6-7-5-16-18-10(7)15/h1-5H,6,15H2.
What are the key properties of 4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-5-amine?
4-[[3-(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-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 117216211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).