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

C10H7BrF3NO2 — CID 10542944

IUPAC3-(4-bromophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESOC1(C(F)(F)F)CC(c2ccc(Br)cc2)=NO1
InChIInChI=1S/C10H7BrF3NO2/c11-7-3-1-6(2-4-7)8-5-9(16,17-15-8)10(12,13)14/h1-4,16H,5H2
InChIKeyUTIXPPRXNKFAPZ-UHFFFAOYSA-N
MW310.07 g/mol
LogP2.82
Rot. Bonds1

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

3-(4-bromophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (PubChem CID 10542944) has the molecular formula C10H7BrF3NO2 and a molecular weight of 310.07 g/mol. Its IUPAC name is 3-(4-bromophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name3-(4-bromophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
PubChem CID10542944
Molecular FormulaC10H7BrF3NO2
Molecular Weight310.07 g/mol
Exact Mass308.96
IUPAC Name3-(4-bromophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESOC1(C(F)(F)F)CC(c2ccc(Br)cc2)=NO1
InChIInChI=1S/C10H7BrF3NO2/c11-7-3-1-6(2-4-7)8-5-9(16,17-15-8)10(12,13)14/h1-4,16H,5H2
InChIKeyUTIXPPRXNKFAPZ-UHFFFAOYSA-N
XLogP2.82
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.07
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Fluoro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-5-ol
CID 2881538
5-Hydroxy-3-phenyl-5-(trifluoromethyl)-4,5-dihydroisoxazole
CID 2880976
[3-(4-Bromo-3-fluoro-phenyl)-4,5-dihydro-isoxazol-5-yl]-methanol
CID 17954502
3-(4-Bromophenyl)-4-(3-fluorophenyl)-5-methyl-4,5-dihydro-5-isoxazolol
CID 22316824
3-(4-Bromo-3-fluorophenyl)-5,5-bis(hydroxymethyl)-4,5-dihydroisoxazole
CID 58653769
3-(4-Bromo-2-fluorophenyl)-4,5-dihydro-5-isoxazolemethanol
CID 58653821
3-(3-Fluoro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-5-ol
CID 67362753
5-(1,1,2,2,2-pentafluoroethyl)-3-phenyl-4H-1,2-oxazol-5-ol
CID 87600016
5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-phenyl-4H-1,2-oxazol-5-ol
CID 89298413
5-bromo-4-(difluoromethyl)-3-phenyl-4H-1,2-oxazol-5-ol
CID 141159128
5-(Bromodifluoromethyl)-4,5-dihydro-3-phenyl-5-isoxazolol
CID 142608920
5-[bromo(difluoro)methyl]-3-(4-methylphenyl)-4H-1,2-oxazol-5-ol
CID 142608936

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The IUPAC name of 3-(4-bromophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (CID 10542944) is 3-(4-bromophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.
What is the SMILES notation for 3-(4-bromophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The canonical SMILES for 3-(4-bromophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is OC1(C(F)(F)F)CC(c2ccc(Br)cc2)=NO1.
What is the InChIKey of 3-(4-bromophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The InChIKey is UTIXPPRXNKFAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF3NO2/c11-7-3-1-6(2-4-7)8-5-9(16,17-15-8)10(12,13)14/h1-4,16H,5H2.
What are the key properties of 3-(4-bromophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
3-(4-bromophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol has a molecular weight of 310.07 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 10542944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).