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

C12H7F4NO3 — CID 103199281

IUPAC2-(5-fluoro-2-methylphenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
SMILESCc1ccc(F)cc1-c1nc(C(F)(F)F)c(C(=O)O)o1
InChIInChI=1S/C12H7F4NO3/c1-5-2-3-6(13)4-7(5)10-17-9(12(14,15)16)8(20-10)11(18)19/h2-4H,1H3,(H,18,19)
InChIKeyBBXOLCCIAGFWLR-UHFFFAOYSA-N
MW289.18 g/mol
LogP3.51
Rot. Bonds2

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

2-(5-fluoro-2-methylphenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid (PubChem CID 103199281) has the molecular formula C12H7F4NO3 and a molecular weight of 289.18 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
PubChem CID103199281
Molecular FormulaC12H7F4NO3
Molecular Weight289.18 g/mol
Exact Mass289.04
IUPAC Name2-(5-fluoro-2-methylphenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
SMILESCc1ccc(F)cc1-c1nc(C(F)(F)F)c(C(=O)O)o1
InChIInChI=1S/C12H7F4NO3/c1-5-2-3-6(13)4-7(5)10-17-9(12(14,15)16)8(20-10)11(18)19/h2-4H,1H3,(H,18,19)
InChIKeyBBXOLCCIAGFWLR-UHFFFAOYSA-N
XLogP3.51
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.18
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-(5-fluoro-2-methylphenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid (CID 103199281) is 2-(5-fluoro-2-methylphenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-(5-fluoro-2-methylphenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-(5-fluoro-2-methylphenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid is Cc1ccc(F)cc1-c1nc(C(F)(F)F)c(C(=O)O)o1.
What is the InChIKey of 2-(5-fluoro-2-methylphenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is BBXOLCCIAGFWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F4NO3/c1-5-2-3-6(13)4-7(5)10-17-9(12(14,15)16)8(20-10)11(18)19/h2-4H,1H3,(H,18,19).
What are the key properties of 2-(5-fluoro-2-methylphenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
2-(5-fluoro-2-methylphenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 289.18 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methylphenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 103199281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).