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

C11H5ClF3NO3 — CID 115111243

IUPAC5-[3-chloro-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(Cl)cc(C(F)(F)F)c2)on1
InChIInChI=1S/C11H5ClF3NO3/c12-7-2-5(1-6(3-7)11(13,14)15)9-4-8(10(17)18)16-19-9/h1-4H,(H,17,18)
InChIKeyVESNNKPVMSCJFJ-UHFFFAOYSA-N
MW291.61 g/mol
LogP3.71
Rot. Bonds2

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

5-[3-chloro-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 115111243) has the molecular formula C11H5ClF3NO3 and a molecular weight of 291.61 g/mol. Its IUPAC name is 5-[3-chloro-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[3-chloro-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid
PubChem CID115111243
Molecular FormulaC11H5ClF3NO3
Molecular Weight291.61 g/mol
Exact Mass290.99
IUPAC Name5-[3-chloro-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(Cl)cc(C(F)(F)F)c2)on1
InChIInChI=1S/C11H5ClF3NO3/c12-7-2-5(1-6(3-7)11(13,14)15)9-4-8(10(17)18)16-19-9/h1-4H,(H,17,18)
InChIKeyVESNNKPVMSCJFJ-UHFFFAOYSA-N
XLogP3.71
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.61
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-chlorophenyl)-1,2-oxazole-3-carboxylic acid
CID 1133644
5-(4-bromo-3,5-difluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 117488817
5-[3-chloro-5-(cyclopropylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117473772
5-[4-methoxy-3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117463208
N-[3-chloro-5-(trifluoromethyl)anilino]-2-oxo-2-(5-phenyl-1,2-oxazol-3-yl)ethanimidoyl cyanide
CID 155045841
2-[3,5-bis(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid
CID 87450920
5-[3-(2-hydroxypropan-2-yl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 115111141
5-[2-methoxy-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 82631175
5-(4-bromo-2,3,5,6-tetrafluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 115111261
5-(3,5-difluoro-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117390409
5-(3-chloro-2,5,6-trifluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 117445060
5-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 17252743

Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[3-chloro-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid (CID 115111243) is 5-[3-chloro-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[3-chloro-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[3-chloro-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(-c2cc(Cl)cc(C(F)(F)F)c2)on1.
What is the InChIKey of 5-[3-chloro-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is VESNNKPVMSCJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF3NO3/c12-7-2-5(1-6(3-7)11(13,14)15)9-4-8(10(17)18)16-19-9/h1-4H,(H,17,18).
What are the key properties of 5-[3-chloro-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid?
5-[3-chloro-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 291.61 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 115111243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).