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

C10H6Cl2F3NO2 — CID 22124231

IUPAC4-chloro-3-(4-chlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESOC1(C(F)(F)F)ON=C(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/h1-4,8,17H
InChIKeyNPVXOSATGFLFJH-UHFFFAOYSA-N
MW300.06 g/mol
LogP2.93
Rot. Bonds1

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

4-chloro-3-(4-chlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (PubChem CID 22124231) 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)-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name4-chloro-3-(4-chlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
PubChem CID22124231
Molecular FormulaC10H6Cl2F3NO2
Molecular Weight300.06 g/mol
Exact Mass298.97
IUPAC Name4-chloro-3-(4-chlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESOC1(C(F)(F)F)ON=C(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/h1-4,8,17H
InChIKeyNPVXOSATGFLFJH-UHFFFAOYSA-N
XLogP2.93
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.06
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(4-chlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The IUPAC name of 4-chloro-3-(4-chlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (CID 22124231) is 4-chloro-3-(4-chlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.
What is the SMILES notation for 4-chloro-3-(4-chlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The canonical SMILES for 4-chloro-3-(4-chlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is OC1(C(F)(F)F)ON=C(c2ccc(Cl)cc2)C1Cl.
What is the InChIKey of 4-chloro-3-(4-chlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The InChIKey is NPVXOSATGFLFJH-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/h1-4,8,17H.
What are the key properties of 4-chloro-3-(4-chlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
4-chloro-3-(4-chlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol has a molecular weight of 300.06 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(4-chlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 22124231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).