[2-[3-bromo-4-(trifluoromethoxy)phenoxy]-1,3-oxazol-4-yl]methanamine

C11H8BrF3N2O3 — CID 102714960

IUPAC[2-[3-bromo-4-(trifluoromethoxy)phenoxy]-1,3-oxazol-4-yl]methanamine
SMILESNCc1coc(Oc2ccc(OC(F)(F)F)c(Br)c2)n1
InChIInChI=1S/C11H8BrF3N2O3/c12-8-3-7(1-2-9(8)20-11(13,14)15)19-10-17-6(4-16)5-18-10/h1-3,5H,4,16H2
InChIKeyFKMRKWNTNNJMEV-UHFFFAOYSA-N
MW353.09 g/mol
LogP3.59
Rot. Bonds4

About [2-[3-bromo-4-(trifluoromethoxy)phenoxy]-1,3-oxazol-4-yl]methanamine

[2-[3-bromo-4-(trifluoromethoxy)phenoxy]-1,3-oxazol-4-yl]methanamine (PubChem CID 102714960) has the molecular formula C11H8BrF3N2O3 and a molecular weight of 353.09 g/mol. Its IUPAC name is [2-[3-bromo-4-(trifluoromethoxy)phenoxy]-1,3-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-[3-bromo-4-(trifluoromethoxy)phenoxy]-1,3-oxazol-4-yl]methanamine
PubChem CID102714960
Molecular FormulaC11H8BrF3N2O3
Molecular Weight353.09 g/mol
Exact Mass351.97
IUPAC Name[2-[3-bromo-4-(trifluoromethoxy)phenoxy]-1,3-oxazol-4-yl]methanamine
SMILESNCc1coc(Oc2ccc(OC(F)(F)F)c(Br)c2)n1
InChIInChI=1S/C11H8BrF3N2O3/c12-8-3-7(1-2-9(8)20-11(13,14)15)19-10-17-6(4-16)5-18-10/h1-3,5H,4,16H2
InChIKeyFKMRKWNTNNJMEV-UHFFFAOYSA-N
XLogP3.59
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.09
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[3-bromo-4-(trifluoromethoxy)phenoxy]-1,3-oxazol-4-yl]methanamine 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

2-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridine
CID 102714502
2-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridin-3-amine
CID 102713947
2-[3-bromo-4-(trifluoromethoxy)phenoxy]-5-methylaniline
CID 102713939
3-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridazine
CID 102714042
2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethanol
CID 102674568
5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-1,3-thiazol-2-amine
CID 102714952
[4-[3-bromo-4-(trifluoromethoxy)phenoxy]-3-pyridinyl]methanol
CID 102714933
2-[3-bromo-4-(trifluoromethoxy)phenoxy]-3,5-difluoropyridine
CID 102714035
5-[3-bromo-4-(trifluoromethoxy)phenoxy]-3-propan-2-yl-1,2,4-thiadiazole
CID 102714057
5-[3-bromo-4-(trifluoromethoxy)phenoxy]-3-cyclopropyl-1,2,4-thiadiazole
CID 102714068
3-[3-bromo-4-(trifluoromethoxy)phenoxy]propan-1-ol
CID 102674553
4-[3-bromo-4-(trifluoromethoxy)phenoxy]-N-methylpyridin-2-amine
CID 102715111

Frequently Asked Questions

What is the IUPAC name of [2-[3-bromo-4-(trifluoromethoxy)phenoxy]-1,3-oxazol-4-yl]methanamine?
The IUPAC name of [2-[3-bromo-4-(trifluoromethoxy)phenoxy]-1,3-oxazol-4-yl]methanamine (CID 102714960) is [2-[3-bromo-4-(trifluoromethoxy)phenoxy]-1,3-oxazol-4-yl]methanamine.
What is the SMILES notation for [2-[3-bromo-4-(trifluoromethoxy)phenoxy]-1,3-oxazol-4-yl]methanamine?
The canonical SMILES for [2-[3-bromo-4-(trifluoromethoxy)phenoxy]-1,3-oxazol-4-yl]methanamine is NCc1coc(Oc2ccc(OC(F)(F)F)c(Br)c2)n1.
What is the InChIKey of [2-[3-bromo-4-(trifluoromethoxy)phenoxy]-1,3-oxazol-4-yl]methanamine?
The InChIKey is FKMRKWNTNNJMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF3N2O3/c12-8-3-7(1-2-9(8)20-11(13,14)15)19-10-17-6(4-16)5-18-10/h1-3,5H,4,16H2.
What are the key properties of [2-[3-bromo-4-(trifluoromethoxy)phenoxy]-1,3-oxazol-4-yl]methanamine?
[2-[3-bromo-4-(trifluoromethoxy)phenoxy]-1,3-oxazol-4-yl]methanamine has a molecular weight of 353.09 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-bromo-4-(trifluoromethoxy)phenoxy]-1,3-oxazol-4-yl]methanamine is sourced from PubChem (CID 102714960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).