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

C4H2BrF3N2O — CID 2763189

IUPAC5-bromo-4-(trifluoromethyl)-1,3-oxazol-2-amine
SMILESNc1nc(C(F)(F)F)c(Br)o1
InChIInChI=1S/C4H2BrF3N2O/c5-2-1(4(6,7)8)10-3(9)11-2/h(H2,9,10)
InChIKeyIHUGSOIFGXJEMY-UHFFFAOYSA-N
MW230.97 g/mol
LogP2.04
Rot. Bonds

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

5-bromo-4-(trifluoromethyl)-1,3-oxazol-2-amine (PubChem CID 2763189) has the molecular formula C4H2BrF3N2O and a molecular weight of 230.97 g/mol. Its IUPAC name is 5-bromo-4-(trifluoromethyl)-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-bromo-4-(trifluoromethyl)-1,3-oxazol-2-amine
PubChem CID2763189
Molecular FormulaC4H2BrF3N2O
Molecular Weight230.97 g/mol
Exact Mass229.93
IUPAC Name5-bromo-4-(trifluoromethyl)-1,3-oxazol-2-amine
SMILESNc1nc(C(F)(F)F)c(Br)o1
InChIInChI=1S/C4H2BrF3N2O/c5-2-1(4(6,7)8)10-3(9)11-2/h(H2,9,10)
InChIKeyIHUGSOIFGXJEMY-UHFFFAOYSA-N
XLogP2.04
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.97
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(trifluoromethyl)-1,3-oxazol-2-amine?
The IUPAC name of 5-bromo-4-(trifluoromethyl)-1,3-oxazol-2-amine (CID 2763189) is 5-bromo-4-(trifluoromethyl)-1,3-oxazol-2-amine.
What is the SMILES notation for 5-bromo-4-(trifluoromethyl)-1,3-oxazol-2-amine?
The canonical SMILES for 5-bromo-4-(trifluoromethyl)-1,3-oxazol-2-amine is Nc1nc(C(F)(F)F)c(Br)o1.
What is the InChIKey of 5-bromo-4-(trifluoromethyl)-1,3-oxazol-2-amine?
The InChIKey is IHUGSOIFGXJEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2BrF3N2O/c5-2-1(4(6,7)8)10-3(9)11-2/h(H2,9,10).
What are the key properties of 5-bromo-4-(trifluoromethyl)-1,3-oxazol-2-amine?
5-bromo-4-(trifluoromethyl)-1,3-oxazol-2-amine has a molecular weight of 230.97 g/mol, XLogP of 2.04, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(trifluoromethyl)-1,3-oxazol-2-amine is sourced from PubChem (CID 2763189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).