3-(4-bromo-3-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol

C10H6BrF4NO2 — CID 155412819

IUPAC3-(4-bromo-3-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESOC1(C(F)(F)F)CC(c2ccc(Br)c(F)c2)=NO1
InChIInChI=1S/C10H6BrF4NO2/c11-6-2-1-5(3-7(6)12)8-4-9(17,18-16-8)10(13,14)15/h1-3,17H,4H2
InChIKeyARYDLOOZDNTHAF-UHFFFAOYSA-N
MW328.06 g/mol
LogP2.96
Rot. Bonds1

About 3-(4-bromo-3-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol

3-(4-bromo-3-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (PubChem CID 155412819) has the molecular formula C10H6BrF4NO2 and a molecular weight of 328.06 g/mol. Its IUPAC name is 3-(4-bromo-3-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name3-(4-bromo-3-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
PubChem CID155412819
Molecular FormulaC10H6BrF4NO2
Molecular Weight328.06 g/mol
Exact Mass326.95
IUPAC Name3-(4-bromo-3-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESOC1(C(F)(F)F)CC(c2ccc(Br)c(F)c2)=NO1
InChIInChI=1S/C10H6BrF4NO2/c11-6-2-1-5(3-7(6)12)8-4-9(17,18-16-8)10(13,14)15/h1-3,17H,4H2
InChIKeyARYDLOOZDNTHAF-UHFFFAOYSA-N
XLogP2.96
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.06
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The IUPAC name of 3-(4-bromo-3-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (CID 155412819) is 3-(4-bromo-3-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.
What is the SMILES notation for 3-(4-bromo-3-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The canonical SMILES for 3-(4-bromo-3-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is OC1(C(F)(F)F)CC(c2ccc(Br)c(F)c2)=NO1.
What is the InChIKey of 3-(4-bromo-3-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The InChIKey is ARYDLOOZDNTHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF4NO2/c11-6-2-1-5(3-7(6)12)8-4-9(17,18-16-8)10(13,14)15/h1-3,17H,4H2.
What are the key properties of 3-(4-bromo-3-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
3-(4-bromo-3-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol has a molecular weight of 328.06 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 155412819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).