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

C17H10F3NO3 — CID 18613828

IUPAC4-[4-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)co2)cc1
InChIInChI=1S/C17H10F3NO3/c18-17(19,20)13-3-1-2-12(8-13)14-9-24-15(21-14)10-4-6-11(7-5-10)16(22)23/h1-9H,(H,22,23)
InChIKeyZPJQJFYQADHWHT-UHFFFAOYSA-N
MW333.27 g/mol
LogP4.73
Rot. Bonds3

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

4-[4-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzoic acid (PubChem CID 18613828) has the molecular formula C17H10F3NO3 and a molecular weight of 333.27 g/mol. Its IUPAC name is 4-[4-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzoic acid.

Molecular Properties

Compound Name4-[4-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzoic acid
PubChem CID18613828
Molecular FormulaC17H10F3NO3
Molecular Weight333.27 g/mol
Exact Mass333.06
IUPAC Name4-[4-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)co2)cc1
InChIInChI=1S/C17H10F3NO3/c18-17(19,20)13-3-1-2-12(8-13)14-9-24-15(21-14)10-4-6-11(7-5-10)16(22)23/h1-9H,(H,22,23)
InChIKeyZPJQJFYQADHWHT-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Oxaprozin
CID 4614
4-(4-Tert-butyl-2-ethoxyphenyl)-2-(2,6-difluorophenyl)oxazole
CID 138394724
Diphenyloxazole
CID 168750
Phenylpropanoic acid derivative, 57
CID 10164033
3-[4-(4-Hydroxyphenyl)-1,3-oxazol-2-yl]phenol
CID 25192184
2-[2-(4-Fluorophenyl)-1,3-oxazol-4-yl]acetic acid
CID 3244952
Ave-8134
CID 11625114
2-(2-Phenyl-1,3-oxazol-4-yl)acetic acid
CID 7131950
3-(5-(3,5-Bis(trifluoromethyl)phenyl)-4-phenyloxazol-2-yl)propanoic acid
CID 155491000
Phenylpropanoic acid derivative, 17l
CID 10137230
4-(4-(5-Methyl-2-p-tolyloxazol-4-yl)butoxyimino)-4-phenylbutanoic acid
CID 44571517
4-(6-(5-Methyl-2-p-tolyloxazol-4-yl)hexyloxyimino)-4-phenylbutanoic acid
CID 44571519

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzoic acid?
The IUPAC name of 4-[4-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzoic acid (CID 18613828) is 4-[4-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzoic acid.
What is the SMILES notation for 4-[4-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzoic acid?
The canonical SMILES for 4-[4-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzoic acid is O=C(O)c1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)co2)cc1.
What is the InChIKey of 4-[4-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzoic acid?
The InChIKey is ZPJQJFYQADHWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3NO3/c18-17(19,20)13-3-1-2-12(8-13)14-9-24-15(21-14)10-4-6-11(7-5-10)16(22)23/h1-9H,(H,22,23).
What are the key properties of 4-[4-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzoic acid?
4-[4-[3-(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-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzoic acid is sourced from PubChem (CID 18613828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).