4-[2-bromo-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine

C10H6BrF3N2O — CID 117491987

IUPAC4-[2-bromo-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine
SMILESNc1oncc1-c1c(Br)cccc1C(F)(F)F
InChIInChI=1S/C10H6BrF3N2O/c11-7-3-1-2-6(10(12,13)14)8(7)5-4-16-17-9(5)15/h1-4H,15H2
InChIKeyOISQDZDFMUEURS-UHFFFAOYSA-N
MW307.07 g/mol
LogP3.71
Rot. Bonds1

About 4-[2-bromo-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine

4-[2-bromo-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine (PubChem CID 117491987) has the molecular formula C10H6BrF3N2O and a molecular weight of 307.07 g/mol. Its IUPAC name is 4-[2-bromo-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-[2-bromo-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine
PubChem CID117491987
Molecular FormulaC10H6BrF3N2O
Molecular Weight307.07 g/mol
Exact Mass305.96
IUPAC Name4-[2-bromo-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine
SMILESNc1oncc1-c1c(Br)cccc1C(F)(F)F
InChIInChI=1S/C10H6BrF3N2O/c11-7-3-1-2-6(10(12,13)14)8(7)5-4-16-17-9(5)15/h1-4H,15H2
InChIKeyOISQDZDFMUEURS-UHFFFAOYSA-N
XLogP3.71
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.07
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-bromo-5-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine
CID 115112263
4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine
CID 117367114
4-(3-bromo-1H-indol-4-yl)-1,2-oxazol-5-amine
CID 117445500
4-(2-bromo-3-methoxy-6-methylphenyl)-1,2-oxazol-5-amine
CID 117454876
4-(3-bromo-4-methylphenyl)-1,2-oxazol-5-amine
CID 117385048
5-[2-bromo-6-(trifluoromethyl)phenyl]-3-phenyl-1H-pyrazole
CID 134462721
4-thiophen-2-yl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine
CID 62502729
[2-bromo-6-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 119018838
5-[2,6-bis(trifluoromethyl)phenyl]-1,3-thiazole
CID 91805684
4-(2-chloro-6-methylsulfonylphenyl)-1,2-oxazol-5-amine
CID 117434464
2-(5-amino-1,2-oxazol-4-yl)-4-bromophenol
CID 117390307
3-bromo-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 112571512

Frequently Asked Questions

What is the IUPAC name of 4-[2-bromo-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine?
The IUPAC name of 4-[2-bromo-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine (CID 117491987) is 4-[2-bromo-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 4-[2-bromo-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 4-[2-bromo-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine is Nc1oncc1-c1c(Br)cccc1C(F)(F)F.
What is the InChIKey of 4-[2-bromo-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine?
The InChIKey is OISQDZDFMUEURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF3N2O/c11-7-3-1-2-6(10(12,13)14)8(7)5-4-16-17-9(5)15/h1-4H,15H2.
What are the key properties of 4-[2-bromo-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine?
4-[2-bromo-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine has a molecular weight of 307.07 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-bromo-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 117491987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).