4-methyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid

C12H8F3NO3 — CID 23137152

IUPAC4-methyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid
SMILESCc1c(C(=O)O)noc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H8F3NO3/c1-6-9(11(17)18)16-19-10(6)7-2-4-8(5-3-7)12(13,14)15/h2-5H,1H3,(H,17,18)
InChIKeyRNXMXIVWXAGZMG-UHFFFAOYSA-N
MW271.19 g/mol
LogP3.37
Rot. Bonds2

About 4-methyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid

4-methyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 23137152) has the molecular formula C12H8F3NO3 and a molecular weight of 271.19 g/mol. Its IUPAC name is 4-methyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid
PubChem CID23137152
Molecular FormulaC12H8F3NO3
Molecular Weight271.19 g/mol
Exact Mass271.05
IUPAC Name4-methyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid
SMILESCc1c(C(=O)O)noc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H8F3NO3/c1-6-9(11(17)18)16-19-10(6)7-2-4-8(5-3-7)12(13,14)15/h2-5H,1H3,(H,17,18)
InChIKeyRNXMXIVWXAGZMG-UHFFFAOYSA-N
XLogP3.37
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.19
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 67121077
4-methyl-5-(4-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid
CID 82085722
ethyl 4-bromo-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylate
CID 66793071
4-(1,1-difluoroethyl)-5-phenyl-1,2-oxazole-3-carboxylic acid
CID 58537182
4-methyl-5-(2-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 105470722
4-methyl-5-[4-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid
CID 54846599
5-(4-tert-butylphenyl)-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide
CID 46096938
5-(2,4-dimethylphenyl)-4-methyl-1,2-oxazole-3-carboxylic acid
CID 82082017
5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylic acid
CID 2782932
7-methyl-3-[4-(trifluoromethyl)phenyl]-2,1-benzoxazole
CID 14835385
4-(anilinomethyl)-N-[(2S)-3-methylbutan-2-yl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 66792972
N-cyclopentyl-4-formyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 86663337

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 4-methyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid (CID 23137152) is 4-methyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 4-methyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 4-methyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid is Cc1c(C(=O)O)noc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-methyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is RNXMXIVWXAGZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO3/c1-6-9(11(17)18)16-19-10(6)7-2-4-8(5-3-7)12(13,14)15/h2-5H,1H3,(H,17,18).
What are the key properties of 4-methyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid?
4-methyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 271.19 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 23137152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).