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

C11H9F3N2O — CID 115094254

IUPAC5-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-3-amine
SMILESNc1cc(Cc2cccc(C(F)(F)F)c2)on1
InChIInChI=1S/C11H9F3N2O/c12-11(13,14)8-3-1-2-7(4-8)5-9-6-10(15)16-17-9/h1-4,6H,5H2,(H2,15,16)
InChIKeyJZSOKJUBODHWLG-UHFFFAOYSA-N
MW242.20 g/mol
LogP2.87
Rot. Bonds2

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

5-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-3-amine (PubChem CID 115094254) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is 5-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-3-amine
PubChem CID115094254
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC Name5-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-3-amine
SMILESNc1cc(Cc2cccc(C(F)(F)F)c2)on1
InChIInChI=1S/C11H9F3N2O/c12-11(13,14)8-3-1-2-7(4-8)5-9-6-10(15)16-17-9/h1-4,6H,5H2,(H2,15,16)
InChIKeyJZSOKJUBODHWLG-UHFFFAOYSA-N
XLogP2.87
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(trifluoromethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine
CID 58040029
2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 121010377
5-[[3-(trifluoromethyl)phenyl]methyl]furan-2-carboxylic acid
CID 90399964
1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120852897
2-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]acetaldehyde
CID 115078816
1-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzene
CID 122368794
N-methyl-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 115078850
5-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 66301823
1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-amine
CID 129205660
5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-amine
CID 105485175
4-cyclopropyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 47003100
7-bromo-4-fluoro-2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran
CID 68551147

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-3-amine?
The IUPAC name of 5-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-3-amine (CID 115094254) is 5-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-3-amine is Nc1cc(Cc2cccc(C(F)(F)F)c2)on1.
What is the InChIKey of 5-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-3-amine?
The InChIKey is JZSOKJUBODHWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c12-11(13,14)8-3-1-2-7(4-8)5-9-6-10(15)16-17-9/h1-4,6H,5H2,(H2,15,16).
What are the key properties of 5-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-3-amine?
5-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-3-amine has a molecular weight of 242.20 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 115094254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).