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

C11H7Cl2F4NO2 — CID 57300375

IUPAC4-chloro-3-(4-chloro-2-fluoro-5-methylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
SMILESCc1cc(C2=C(Cl)C(O)(C(F)(F)F)ON2)c(F)cc1Cl
InChIInChI=1S/C11H7Cl2F4NO2/c1-4-2-5(7(14)3-6(4)12)8-9(13)10(19,20-18-8)11(15,16)17/h2-3,18-19H,1H3
InChIKeyVOSRXMYDACQYAD-UHFFFAOYSA-N
MW332.08 g/mol
LogP3.48
Rot. Bonds1

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

4-chloro-3-(4-chloro-2-fluoro-5-methylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol (PubChem CID 57300375) has the molecular formula C11H7Cl2F4NO2 and a molecular weight of 332.08 g/mol. Its IUPAC name is 4-chloro-3-(4-chloro-2-fluoro-5-methylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name4-chloro-3-(4-chloro-2-fluoro-5-methylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
PubChem CID57300375
Molecular FormulaC11H7Cl2F4NO2
Molecular Weight332.08 g/mol
Exact Mass330.98
IUPAC Name4-chloro-3-(4-chloro-2-fluoro-5-methylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
SMILESCc1cc(C2=C(Cl)C(O)(C(F)(F)F)ON2)c(F)cc1Cl
InChIInChI=1S/C11H7Cl2F4NO2/c1-4-2-5(7(14)3-6(4)12)8-9(13)10(19,20-18-8)11(15,16)17/h2-3,18-19H,1H3
InChIKeyVOSRXMYDACQYAD-UHFFFAOYSA-N
XLogP3.48
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.08
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
CID 4079472
4-chloro-3-(4-chlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
CID 56980797
4-chloro-3-(4-chloro-2,5-difluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
CID 57203864
[4-chloro-3-(4-chloro-2-fluoro-5-methylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-yl] acetate
CID 57290606

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(4-chloro-2-fluoro-5-methylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol?
The IUPAC name of 4-chloro-3-(4-chloro-2-fluoro-5-methylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol (CID 57300375) is 4-chloro-3-(4-chloro-2-fluoro-5-methylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol.
What is the SMILES notation for 4-chloro-3-(4-chloro-2-fluoro-5-methylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol?
The canonical SMILES for 4-chloro-3-(4-chloro-2-fluoro-5-methylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol is Cc1cc(C2=C(Cl)C(O)(C(F)(F)F)ON2)c(F)cc1Cl.
What is the InChIKey of 4-chloro-3-(4-chloro-2-fluoro-5-methylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol?
The InChIKey is VOSRXMYDACQYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2F4NO2/c1-4-2-5(7(14)3-6(4)12)8-9(13)10(19,20-18-8)11(15,16)17/h2-3,18-19H,1H3.
What are the key properties of 4-chloro-3-(4-chloro-2-fluoro-5-methylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol?
4-chloro-3-(4-chloro-2-fluoro-5-methylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol has a molecular weight of 332.08 g/mol, XLogP of 3.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(4-chloro-2-fluoro-5-methylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol is sourced from PubChem (CID 57300375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).