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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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).