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

C17H10F3NO3 — CID 18613835

IUPAC4-[2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2coc(-c3cccc(C(F)(F)F)c3)n2)cc1
InChIInChI=1S/C17H10F3NO3/c18-17(19,20)13-3-1-2-12(8-13)15-21-14(9-24-15)10-4-6-11(7-5-10)16(22)23/h1-9H,(H,22,23)
InChIKeyJWMFCCPXEHOUIJ-UHFFFAOYSA-N
MW333.27 g/mol
LogP4.73
Rot. Bonds3

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

4-[2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]benzoic acid (PubChem CID 18613835) has the molecular formula C17H10F3NO3 and a molecular weight of 333.27 g/mol. Its IUPAC name is 4-[2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]benzoic acid.

Molecular Properties

Compound Name4-[2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]benzoic acid
PubChem CID18613835
Molecular FormulaC17H10F3NO3
Molecular Weight333.27 g/mol
Exact Mass333.06
IUPAC Name4-[2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2coc(-c3cccc(C(F)(F)F)c3)n2)cc1
InChIInChI=1S/C17H10F3NO3/c18-17(19,20)13-3-1-2-12(8-13)15-21-14(9-24-15)10-4-6-11(7-5-10)16(22)23/h1-9H,(H,22,23)
InChIKeyJWMFCCPXEHOUIJ-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-[2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]benzoic acid?
The IUPAC name of 4-[2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]benzoic acid (CID 18613835) is 4-[2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]benzoic acid.
What is the SMILES notation for 4-[2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]benzoic acid?
The canonical SMILES for 4-[2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]benzoic acid is O=C(O)c1ccc(-c2coc(-c3cccc(C(F)(F)F)c3)n2)cc1.
What is the InChIKey of 4-[2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]benzoic acid?
The InChIKey is JWMFCCPXEHOUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3NO3/c18-17(19,20)13-3-1-2-12(8-13)15-21-14(9-24-15)10-4-6-11(7-5-10)16(22)23/h1-9H,(H,22,23).
What are the key properties of 4-[2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]benzoic acid?
4-[2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-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-[2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]benzoic acid is sourced from PubChem (CID 18613835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).