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

C10H7ClF3NO2 — CID 4079472

IUPAC3-(4-chlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
SMILESOC1(C(F)(F)F)C=C(c2ccc(Cl)cc2)NO1
InChIInChI=1S/C10H7ClF3NO2/c11-7-3-1-6(2-4-7)8-5-9(16,17-15-8)10(12,13)14/h1-5,15-16H
InChIKeySLOOEASCBLALHN-UHFFFAOYSA-N
MW265.62 g/mol
LogP2.47
Rot. Bonds1

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

3-(4-chlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol (PubChem CID 4079472) has the molecular formula C10H7ClF3NO2 and a molecular weight of 265.62 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
PubChem CID4079472
Molecular FormulaC10H7ClF3NO2
Molecular Weight265.62 g/mol
Exact Mass265.01
IUPAC Name3-(4-chlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
SMILESOC1(C(F)(F)F)C=C(c2ccc(Cl)cc2)NO1
InChIInChI=1S/C10H7ClF3NO2/c11-7-3-1-6(2-4-7)8-5-9(16,17-15-8)10(12,13)14/h1-5,15-16H
InChIKeySLOOEASCBLALHN-UHFFFAOYSA-N
XLogP2.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.62
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Chlorophenyl)-1,2-oxazol-5-ol
CID 5056057
3-(4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
CID 4079470
3-phenyl-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
CID 5056306
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-ol
CID 57300375
3-(3-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
CID 90726686
5-(1,1,2,2,2-pentafluoroethyl)-3-phenyl-2H-1,2-oxazol-5-ol
CID 91253890
3-[(4-chlorophenyl)-difluoromethyl]-2H-1,2-oxazol-5-one
CID 141740920
3-(4-Chloro-2-fluorophenyl)-1,2-oxazol-5-ol
CID 75359359
3-(4-chlorophenyl)-2H-1,2-oxazole-5-thione
CID 145597194

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol?
The IUPAC name of 3-(4-chlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol (CID 4079472) is 3-(4-chlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol.
What is the SMILES notation for 3-(4-chlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol?
The canonical SMILES for 3-(4-chlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol is OC1(C(F)(F)F)C=C(c2ccc(Cl)cc2)NO1.
What is the InChIKey of 3-(4-chlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol?
The InChIKey is SLOOEASCBLALHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF3NO2/c11-7-3-1-6(2-4-7)8-5-9(16,17-15-8)10(12,13)14/h1-5,15-16H.
What are the key properties of 3-(4-chlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol?
3-(4-chlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol has a molecular weight of 265.62 g/mol, XLogP of 2.47, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol is sourced from PubChem (CID 4079472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).