3-[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylic acid

C11H5ClF3NO4 — CID 136928620

IUPAC3-[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(Cl)cc(C(F)(F)F)c2O)no1
InChIInChI=1S/C11H5ClF3NO4/c12-4-1-5(7-3-8(10(18)19)20-16-7)9(17)6(2-4)11(13,14)15/h1-3,17H,(H,18,19)
InChIKeyGXJPOIGZWQVCOM-UHFFFAOYSA-N
MW307.61 g/mol
LogP3.42
Rot. Bonds2

About 3-[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylic acid

3-[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 136928620) has the molecular formula C11H5ClF3NO4 and a molecular weight of 307.61 g/mol. Its IUPAC name is 3-[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylic acid
PubChem CID136928620
Molecular FormulaC11H5ClF3NO4
Molecular Weight307.61 g/mol
Exact Mass306.99
IUPAC Name3-[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(Cl)cc(C(F)(F)F)c2O)no1
InChIInChI=1S/C11H5ClF3NO4/c12-4-1-5(7-3-8(10(18)19)20-16-7)9(17)6(2-4)11(13,14)15/h1-3,17H,(H,18,19)
InChIKeyGXJPOIGZWQVCOM-UHFFFAOYSA-N
XLogP3.42
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.61
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-bromo-2-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 115112648
3-(5-chloro-2,3-difluoro-4-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 136931933
3-(5-bromo-3-tert-butyl-2-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 136998225
3-(3-chloro-5-fluorophenyl)-1,2-oxazole-5-carboxylic acid
CID 114453827
3-(4-chloro-2,3-dihydroxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 136991054
3-(5-chloro-2-fluoro-4-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 136991106
3-(3-chloro-2-fluoro-4-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 136991111
3-(3-chloro-2-fluoro-5,6-dihydroxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 136932487
3-[4-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazole-5-carboxylic acid
CID 136985992
3-(5-chloro-2-propan-2-ylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117418369
3-(2-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 136998648
3-(5-chloro-2-methoxy-3-propan-2-ylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117476377

Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylic acid (CID 136928620) is 3-[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylic acid is O=C(O)c1cc(-c2cc(Cl)cc(C(F)(F)F)c2O)no1.
What is the InChIKey of 3-[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is GXJPOIGZWQVCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF3NO4/c12-4-1-5(7-3-8(10(18)19)20-16-7)9(17)6(2-4)11(13,14)15/h1-3,17H,(H,18,19).
What are the key properties of 3-[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylic acid?
3-[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 307.61 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 136928620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).