4-[3-bromo-5-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine

C10H6BrF3N2O — CID 115112263

IUPAC4-[3-bromo-5-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine
SMILESNc1oncc1-c1cc(Br)cc(C(F)(F)F)c1
InChIInChI=1S/C10H6BrF3N2O/c11-7-2-5(8-4-16-17-9(8)15)1-6(3-7)10(12,13)14/h1-4H,15H2
InChIKeyQXPKBKDMZQYIAC-UHFFFAOYSA-N
MW307.07 g/mol
LogP3.71
Rot. Bonds1

About 4-[3-bromo-5-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine

4-[3-bromo-5-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine (PubChem CID 115112263) has the molecular formula C10H6BrF3N2O and a molecular weight of 307.07 g/mol. Its IUPAC name is 4-[3-bromo-5-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-[3-bromo-5-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine
PubChem CID115112263
Molecular FormulaC10H6BrF3N2O
Molecular Weight307.07 g/mol
Exact Mass305.96
IUPAC Name4-[3-bromo-5-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine
SMILESNc1oncc1-c1cc(Br)cc(C(F)(F)F)c1
InChIInChI=1S/C10H6BrF3N2O/c11-7-2-5(8-4-16-17-9(8)15)1-6(3-7)10(12,13)14/h1-4H,15H2
InChIKeyQXPKBKDMZQYIAC-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-[2-bromo-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine
CID 117491987
4-(3,5-difluoro-4-methoxyphenyl)-1,2-oxazol-5-amine
CID 117324756
3-[3-bromo-5-(trifluoromethyl)phenyl]pyridine
CID 174924855
4-(3,4-difluoro-5-methylphenyl)-1,2-oxazol-5-amine
CID 117299829
4-(3-bromo-4-methylphenyl)-1,2-oxazol-5-amine
CID 117385048
4-(2-bromo-4,5-difluorophenyl)-1,2-oxazol-5-amine
CID 117439375
4-(3-amino-4,5-dimethylphenyl)-1,2-oxazol-5-amine
CID 115112194
4-[3-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine
CID 117449840
4-(3-fluoro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 117314027
4-(2-bromo-5-fluorophenyl)-1,2-oxazol-5-amine
CID 117395502
2-[3-bromo-5-(trifluoromethyl)phenyl]propan-2-amine
CID 117111932
4-(5-amino-1,2-oxazol-4-yl)-2-bromo-6-nitrophenol
CID 117482805

Frequently Asked Questions

What is the IUPAC name of 4-[3-bromo-5-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine?
The IUPAC name of 4-[3-bromo-5-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine (CID 115112263) is 4-[3-bromo-5-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 4-[3-bromo-5-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 4-[3-bromo-5-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine is Nc1oncc1-c1cc(Br)cc(C(F)(F)F)c1.
What is the InChIKey of 4-[3-bromo-5-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine?
The InChIKey is QXPKBKDMZQYIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF3N2O/c11-7-2-5(8-4-16-17-9(8)15)1-6(3-7)10(12,13)14/h1-4H,15H2.
What are the key properties of 4-[3-bromo-5-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine?
4-[3-bromo-5-(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-[3-bromo-5-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 115112263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).