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

C10H7ClF3NO2 — CID 2881161

IUPAC3-(4-chlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESOC1(C(F)(F)F)CC(c2ccc(Cl)cc2)=NO1
InChIInChI=1S/C10H7ClF3NO2/c11-7-3-1-6(2-4-7)8-5-9(16,17-15-8)10(12,13)14/h1-4,16H,5H2
InChIKeyCJTYJGDSAQVEBI-UHFFFAOYSA-N
MW265.62 g/mol
LogP2.72
Rot. Bonds1

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

3-(4-chlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (PubChem CID 2881161) has the molecular formula C10H7ClF3NO2 and a molecular weight of 265.62 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
PubChem CID2881161
Molecular FormulaC10H7ClF3NO2
Molecular Weight265.62 g/mol
Exact Mass265.01
IUPAC Name3-(4-chlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESOC1(C(F)(F)F)CC(c2ccc(Cl)cc2)=NO1
InChIInChI=1S/C10H7ClF3NO2/c11-7-3-1-6(2-4-7)8-5-9(16,17-15-8)10(12,13)14/h1-4,16H,5H2
InChIKeyCJTYJGDSAQVEBI-UHFFFAOYSA-N
XLogP2.72
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.62
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Butyrophenone, 3'-chloro-3-hydroxy-4,4,4-trifluoro-3-(trifluoromethyl)-, oxime
CID 5468110
Ethanone, 1-(4-chlorophenyl)-2,2,2-trifluoro-, oxime
CID 103437
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
Butyrophenone, 4-chloro-3-chlorodifluoromethyl-4,4-difluoro-3-hydroxy-, oxime
CID 9570952
3-(4-Chlorophenyl)-5-(fluoromethyl)-4,5-dihydro-1,2-oxazole
CID 102340043
(4E)-4-(3-chlorophenyl)-1,1,1-trifluoro-4-hydroxyimino-2-(trifluoromethyl)butan-2-ol
CID 5351423
N-[1-(4-chlorophenyl)-2,2,2-trifluoroethylidene]hydroxylamine
CID 9576213
3-(4-Chlorophenyl)-4,5-dihydro-1,2-oxazole
CID 11557390
3-(4-fluorophenyl)-5-(trichloromethyl)-4H-1,2-oxazol-5-ol
CID 10780456
4-(3-Chlorophenyl)-1,1,1-trifluoro-4-hydroxyimino-2-(trifluoromethyl)butan-2-ol
CID 57995
1-(4-Chlorophenyl)-2,2,2-trifluoroethanoneoxime
CID 5484598

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The IUPAC name of 3-(4-chlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (CID 2881161) is 3-(4-chlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.
What is the SMILES notation for 3-(4-chlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The canonical SMILES for 3-(4-chlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is OC1(C(F)(F)F)CC(c2ccc(Cl)cc2)=NO1.
What is the InChIKey of 3-(4-chlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The InChIKey is CJTYJGDSAQVEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF3NO2/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-chlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
3-(4-chlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol has a molecular weight of 265.62 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 2881161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).