4-[4-[2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzoic acid

C17H10F3NO3 — CID 18613841

IUPAC4-[4-[2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2nc(-c3ccccc3C(F)(F)F)co2)cc1
InChIInChI=1S/C17H10F3NO3/c18-17(19,20)13-4-2-1-3-12(13)14-9-24-15(21-14)10-5-7-11(8-6-10)16(22)23/h1-9H,(H,22,23)
InChIKeyDLZUFBKPMWEMAD-UHFFFAOYSA-N
MW333.27 g/mol
LogP4.73
Rot. Bonds3

About 4-[4-[2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzoic acid

4-[4-[2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzoic acid (PubChem CID 18613841) has the molecular formula C17H10F3NO3 and a molecular weight of 333.27 g/mol. Its IUPAC name is 4-[4-[2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzoic acid.

Molecular Properties

Compound Name4-[4-[2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzoic acid
PubChem CID18613841
Molecular FormulaC17H10F3NO3
Molecular Weight333.27 g/mol
Exact Mass333.06
IUPAC Name4-[4-[2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2nc(-c3ccccc3C(F)(F)F)co2)cc1
InChIInChI=1S/C17H10F3NO3/c18-17(19,20)13-4-2-1-3-12(13)14-9-24-15(21-14)10-5-7-11(8-6-10)16(22)23/h1-9H,(H,22,23)
InChIKeyDLZUFBKPMWEMAD-UHFFFAOYSA-N
XLogP4.73
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzoic acid?
The IUPAC name of 4-[4-[2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzoic acid (CID 18613841) is 4-[4-[2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzoic acid.
What is the SMILES notation for 4-[4-[2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzoic acid?
The canonical SMILES for 4-[4-[2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzoic acid is O=C(O)c1ccc(-c2nc(-c3ccccc3C(F)(F)F)co2)cc1.
What is the InChIKey of 4-[4-[2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzoic acid?
The InChIKey is DLZUFBKPMWEMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3NO3/c18-17(19,20)13-4-2-1-3-12(13)14-9-24-15(21-14)10-5-7-11(8-6-10)16(22)23/h1-9H,(H,22,23).
What are the key properties of 4-[4-[2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzoic acid?
4-[4-[2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzoic acid has a molecular weight of 333.27 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzoic acid is sourced from PubChem (CID 18613841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).