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

C10H6ClF4NO2 — CID 155744116

IUPAC3-(4-chloro-3-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESOC1(C(F)(F)F)CC(c2ccc(Cl)c(F)c2)=NO1
InChIInChI=1S/C10H6ClF4NO2/c11-6-2-1-5(3-7(6)12)8-4-9(17,18-16-8)10(13,14)15/h1-3,17H,4H2
InChIKeyIVZOJGSBQBJIID-UHFFFAOYSA-N
MW283.61 g/mol
LogP2.85
Rot. Bonds1

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

3-(4-chloro-3-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (PubChem CID 155744116) has the molecular formula C10H6ClF4NO2 and a molecular weight of 283.61 g/mol. Its IUPAC name is 3-(4-chloro-3-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name3-(4-chloro-3-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
PubChem CID155744116
Molecular FormulaC10H6ClF4NO2
Molecular Weight283.61 g/mol
Exact Mass283.00
IUPAC Name3-(4-chloro-3-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESOC1(C(F)(F)F)CC(c2ccc(Cl)c(F)c2)=NO1
InChIInChI=1S/C10H6ClF4NO2/c11-6-2-1-5(3-7(6)12)8-4-9(17,18-16-8)10(13,14)15/h1-3,17H,4H2
InChIKeyIVZOJGSBQBJIID-UHFFFAOYSA-N
XLogP2.85
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.61
LogP ≤ 52.85
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
3-(4-Fluoro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-5-ol
CID 2881538
3-(4-Chloro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-5-ol
CID 2881161
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
5-Hydroxy-3-phenyl-5-(trifluoromethyl)-4,5-dihydroisoxazole
CID 2880976
4-(3-Chlorophenyl)-1,1,1-trifluoro-4-hydroxyimino-2-(trifluoromethyl)butan-2-ol
CID 57995
(2S,3S)-5-(4-chlorophenyl)-2,3-bis(trifluoromethyl)-2,4-dihydropyrrol-3-ol
CID 18648354
(2R,3S)-5-(4-chlorophenyl)-2,3-bis(trifluoromethyl)-2,4-dihydropyrrol-3-ol
CID 18648355
(2R,3S)-5-(4-chlorophenyl)-2,3-bis(trifluoromethyl)-3,4-dihydropyrrol-2-ol
CID 18648356
(NZ)-N-[1-(4-chlorophenyl)-2,2,3,3,3-pentafluoropropylidene]hydroxylamine
CID 19995461

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The IUPAC name of 3-(4-chloro-3-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (CID 155744116) is 3-(4-chloro-3-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.
What is the SMILES notation for 3-(4-chloro-3-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The canonical SMILES for 3-(4-chloro-3-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is OC1(C(F)(F)F)CC(c2ccc(Cl)c(F)c2)=NO1.
What is the InChIKey of 3-(4-chloro-3-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The InChIKey is IVZOJGSBQBJIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF4NO2/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-chloro-3-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
3-(4-chloro-3-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol has a molecular weight of 283.61 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 155744116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).