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

C10H6Cl2F3NO2 — CID 56980797

IUPAC4-chloro-3-(4-chlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
SMILESOC1(C(F)(F)F)ONC(c2ccc(Cl)cc2)=C1Cl
InChIInChI=1S/C10H6Cl2F3NO2/c11-6-3-1-5(2-4-6)7-8(12)9(17,18-16-7)10(13,14)15/h1-4,16-17H
InChIKeyGCIFMSQLOIAKEN-UHFFFAOYSA-N
MW300.06 g/mol
LogP3.03
Rot. Bonds1

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

4-chloro-3-(4-chlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol (PubChem CID 56980797) has the molecular formula C10H6Cl2F3NO2 and a molecular weight of 300.06 g/mol. Its IUPAC name is 4-chloro-3-(4-chlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name4-chloro-3-(4-chlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
PubChem CID56980797
Molecular FormulaC10H6Cl2F3NO2
Molecular Weight300.06 g/mol
Exact Mass298.97
IUPAC Name4-chloro-3-(4-chlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
SMILESOC1(C(F)(F)F)ONC(c2ccc(Cl)cc2)=C1Cl
InChIInChI=1S/C10H6Cl2F3NO2/c11-6-3-1-5(2-4-6)7-8(12)9(17,18-16-7)10(13,14)15/h1-4,16-17H
InChIKeyGCIFMSQLOIAKEN-UHFFFAOYSA-N
XLogP3.03
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.06
LogP ≤ 53.03
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-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-ol
CID 57300375

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(4-chlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol?
The IUPAC name of 4-chloro-3-(4-chlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol (CID 56980797) is 4-chloro-3-(4-chlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol.
What is the SMILES notation for 4-chloro-3-(4-chlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol?
The canonical SMILES for 4-chloro-3-(4-chlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol is OC1(C(F)(F)F)ONC(c2ccc(Cl)cc2)=C1Cl.
What is the InChIKey of 4-chloro-3-(4-chlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol?
The InChIKey is GCIFMSQLOIAKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2F3NO2/c11-6-3-1-5(2-4-6)7-8(12)9(17,18-16-7)10(13,14)15/h1-4,16-17H.
What are the key properties of 4-chloro-3-(4-chlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol?
4-chloro-3-(4-chlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol has a molecular weight of 300.06 g/mol, XLogP of 3.03, 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-chlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol is sourced from PubChem (CID 56980797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).