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

C10H4Cl2F5NO2 — CID 57203864

IUPAC4-chloro-3-(4-chloro-2,5-difluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
SMILESOC1(C(F)(F)F)ONC(c2cc(F)c(Cl)cc2F)=C1Cl
InChIInChI=1S/C10H4Cl2F5NO2/c11-4-2-5(13)3(1-6(4)14)7-8(12)9(19,20-18-7)10(15,16)17/h1-2,18-19H
InChIKeyRIADYRNJOPNSFG-UHFFFAOYSA-N
MW336.04 g/mol
LogP3.31
Rot. Bonds1

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

4-chloro-3-(4-chloro-2,5-difluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol (PubChem CID 57203864) has the molecular formula C10H4Cl2F5NO2 and a molecular weight of 336.04 g/mol. Its IUPAC name is 4-chloro-3-(4-chloro-2,5-difluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name4-chloro-3-(4-chloro-2,5-difluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
PubChem CID57203864
Molecular FormulaC10H4Cl2F5NO2
Molecular Weight336.04 g/mol
Exact Mass334.95
IUPAC Name4-chloro-3-(4-chloro-2,5-difluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
SMILESOC1(C(F)(F)F)ONC(c2cc(F)c(Cl)cc2F)=C1Cl
InChIInChI=1S/C10H4Cl2F5NO2/c11-4-2-5(13)3(1-6(4)14)7-8(12)9(19,20-18-7)10(15,16)17/h1-2,18-19H
InChIKeyRIADYRNJOPNSFG-UHFFFAOYSA-N
XLogP3.31
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.04
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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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-yl] acetate
CID 57257156
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-chloro-2,5-difluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol?
The IUPAC name of 4-chloro-3-(4-chloro-2,5-difluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol (CID 57203864) is 4-chloro-3-(4-chloro-2,5-difluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol.
What is the SMILES notation for 4-chloro-3-(4-chloro-2,5-difluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol?
The canonical SMILES for 4-chloro-3-(4-chloro-2,5-difluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol is OC1(C(F)(F)F)ONC(c2cc(F)c(Cl)cc2F)=C1Cl.
What is the InChIKey of 4-chloro-3-(4-chloro-2,5-difluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol?
The InChIKey is RIADYRNJOPNSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl2F5NO2/c11-4-2-5(13)3(1-6(4)14)7-8(12)9(19,20-18-7)10(15,16)17/h1-2,18-19H.
What are the key properties of 4-chloro-3-(4-chloro-2,5-difluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol?
4-chloro-3-(4-chloro-2,5-difluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol has a molecular weight of 336.04 g/mol, XLogP of 3.31, 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-2,5-difluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol is sourced from PubChem (CID 57203864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).