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

C10H6BrF4NO2 — CID 155412890

IUPAC3-(4-bromo-2-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESOC1(C(F)(F)F)CC(c2ccc(Br)cc2F)=NO1
InChIInChI=1S/C10H6BrF4NO2/c11-5-1-2-6(7(12)3-5)8-4-9(17,18-16-8)10(13,14)15/h1-3,17H,4H2
InChIKeyOQCOTHVVUBGBAG-UHFFFAOYSA-N
MW328.06 g/mol
LogP2.96
Rot. Bonds1

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

3-(4-bromo-2-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (PubChem CID 155412890) has the molecular formula C10H6BrF4NO2 and a molecular weight of 328.06 g/mol. Its IUPAC name is 3-(4-bromo-2-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name3-(4-bromo-2-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
PubChem CID155412890
Molecular FormulaC10H6BrF4NO2
Molecular Weight328.06 g/mol
Exact Mass326.95
IUPAC Name3-(4-bromo-2-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESOC1(C(F)(F)F)CC(c2ccc(Br)cc2F)=NO1
InChIInChI=1S/C10H6BrF4NO2/c11-5-1-2-6(7(12)3-5)8-4-9(17,18-16-8)10(13,14)15/h1-3,17H,4H2
InChIKeyOQCOTHVVUBGBAG-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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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
5-Isoxazolol, 3-(4-bromophenyl)-4,5-dihydro-5-(trifluoromethyl)-
CID 10542944
[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
1-(4-Bromo-2-fluoro-phenyl)-2,2,2-trifluoro-ethanone oxime
CID 86635139
(NZ)-N-[1-(4-bromo-2-fluorophenyl)-2,2,2-trifluoroethylidene]hydroxylamine
CID 87214516
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

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The IUPAC name of 3-(4-bromo-2-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (CID 155412890) is 3-(4-bromo-2-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.
What is the SMILES notation for 3-(4-bromo-2-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The canonical SMILES for 3-(4-bromo-2-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is OC1(C(F)(F)F)CC(c2ccc(Br)cc2F)=NO1.
What is the InChIKey of 3-(4-bromo-2-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The InChIKey is OQCOTHVVUBGBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF4NO2/c11-5-1-2-6(7(12)3-5)8-4-9(17,18-16-8)10(13,14)15/h1-3,17H,4H2.
What are the key properties of 3-(4-bromo-2-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
3-(4-bromo-2-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-2-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 155412890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).