5-(3-chlorophenyl)-4-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid

C11H5ClF3NO3 — CID 58374126

IUPAC5-(3-chlorophenyl)-4-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1noc(-c2cccc(Cl)c2)c1C(F)(F)F
InChIInChI=1S/C11H5ClF3NO3/c12-6-3-1-2-5(4-6)9-7(11(13,14)15)8(10(17)18)16-19-9/h1-4H,(H,17,18)
InChIKeyGEKQFOIYZNBWDF-UHFFFAOYSA-N
MW291.61 g/mol
LogP3.71
Rot. Bonds2

About 5-(3-chlorophenyl)-4-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid

5-(3-chlorophenyl)-4-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 58374126) has the molecular formula C11H5ClF3NO3 and a molecular weight of 291.61 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-4-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-chlorophenyl)-4-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid
PubChem CID58374126
Molecular FormulaC11H5ClF3NO3
Molecular Weight291.61 g/mol
Exact Mass290.99
IUPAC Name5-(3-chlorophenyl)-4-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1noc(-c2cccc(Cl)c2)c1C(F)(F)F
InChIInChI=1S/C11H5ClF3NO3/c12-6-3-1-2-5(4-6)9-7(11(13,14)15)8(10(17)18)16-19-9/h1-4H,(H,17,18)
InChIKeyGEKQFOIYZNBWDF-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

4-(1,1-difluoroethyl)-5-phenyl-1,2-oxazole-3-carboxylic acid
CID 58537182
4-chloro-5-(3-fluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 83912649
5-(3-chlorophenyl)-3-ethyl-1,2-oxazole-4-carboxylic acid
CID 20848771
4-chloro-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 67121077
(NE)-N-[1-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]ethylidene]hydroxylamine
CID 172935187
3-chloro-5-(3-fluorophenyl)-1,2-oxazole-4-carboxylic acid
CID 82387243
5-amino-4-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid
CID 105449623
5-(3-chlorophenyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxylic acid
CID 56768773
5-(3-chlorophenyl)-4-phenyl-1,2-oxazol-3-amine
CID 66199504
3-[2-chloro-6-(trifluoromethyl)phenyl]-5-phenyl-1,2-oxazole-4-carboxylic acid
CID 155491026
5-phenyl-4-(3,3,3-trifluoropropyl)-1,2-oxazole-3-carboxylic acid
CID 67455256
lithium;hydride;3-phenyl-4-(trifluoromethyl)-1,2-oxazole-5-carboxylic acid
CID 174645713

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-4-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(3-chlorophenyl)-4-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid (CID 58374126) is 5-(3-chlorophenyl)-4-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(3-chlorophenyl)-4-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(3-chlorophenyl)-4-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid is O=C(O)c1noc(-c2cccc(Cl)c2)c1C(F)(F)F.
What is the InChIKey of 5-(3-chlorophenyl)-4-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is GEKQFOIYZNBWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF3NO3/c12-6-3-1-2-5(4-6)9-7(11(13,14)15)8(10(17)18)16-19-9/h1-4H,(H,17,18).
What are the key properties of 5-(3-chlorophenyl)-4-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid?
5-(3-chlorophenyl)-4-(trifluoromethyl)-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-chlorophenyl)-4-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 58374126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).