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

C12H10F3NO4 — CID 102725111

IUPAC5-methyl-3-[2-(trifluoromethoxy)phenyl]-4H-1,2-oxazole-5-carboxylic acid
SMILESCC1(C(=O)O)CC(c2ccccc2OC(F)(F)F)=NO1
InChIInChI=1S/C12H10F3NO4/c1-11(10(17)18)6-8(16-20-11)7-4-2-3-5-9(7)19-12(13,14)15/h2-5H,6H2,1H3,(H,17,18)
InChIKeyMTAOTJSMRAZDOY-UHFFFAOYSA-N
MW289.21 g/mol
LogP2.55
Rot. Bonds3

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

5-methyl-3-[2-(trifluoromethoxy)phenyl]-4H-1,2-oxazole-5-carboxylic acid (PubChem CID 102725111) has the molecular formula C12H10F3NO4 and a molecular weight of 289.21 g/mol. Its IUPAC name is 5-methyl-3-[2-(trifluoromethoxy)phenyl]-4H-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name5-methyl-3-[2-(trifluoromethoxy)phenyl]-4H-1,2-oxazole-5-carboxylic acid
PubChem CID102725111
Molecular FormulaC12H10F3NO4
Molecular Weight289.21 g/mol
Exact Mass289.06
IUPAC Name5-methyl-3-[2-(trifluoromethoxy)phenyl]-4H-1,2-oxazole-5-carboxylic acid
SMILESCC1(C(=O)O)CC(c2ccccc2OC(F)(F)F)=NO1
InChIInChI=1S/C12H10F3NO4/c1-11(10(17)18)6-8(16-20-11)7-4-2-3-5-9(7)19-12(13,14)15/h2-5H,6H2,1H3,(H,17,18)
InChIKeyMTAOTJSMRAZDOY-UHFFFAOYSA-N
XLogP2.55
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methyl-3-[2-(trifluoromethoxy)phenyl]-4H-1,2-oxazole-5-carboxylic 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

(5S)-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 7263720
3-(2-cyclopropylphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 102725051
(5R)-3-(2,4-dimethoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 95658937
3-(2,5-dimethoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 103693699
(5R)-3-(2-methoxyphenyl)-5-methyl-N-propyl-4H-1,2-oxazole-5-carboxamide
CID 97465817
(5R)-3-(2-methoxyphenyl)-5-methyl-N-prop-2-enyl-4H-1,2-oxazole-5-carboxamide
CID 97465838
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
3-(2-methoxyphenyl)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4H-1,2-oxazole-5-carboxamide
CID 91946169
(5S)-3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 93019883
3-(2-methylphenyl)-4H-1,2-oxazole-5,5-dicarboxylic acid
CID 175539992
3-(3,4-difluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 103693713
1-[2-[2-(trifluoromethoxy)phenyl]phenyl]ethanone
CID 16768650

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[2-(trifluoromethoxy)phenyl]-4H-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 5-methyl-3-[2-(trifluoromethoxy)phenyl]-4H-1,2-oxazole-5-carboxylic acid (CID 102725111) is 5-methyl-3-[2-(trifluoromethoxy)phenyl]-4H-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 5-methyl-3-[2-(trifluoromethoxy)phenyl]-4H-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 5-methyl-3-[2-(trifluoromethoxy)phenyl]-4H-1,2-oxazole-5-carboxylic acid is CC1(C(=O)O)CC(c2ccccc2OC(F)(F)F)=NO1.
What is the InChIKey of 5-methyl-3-[2-(trifluoromethoxy)phenyl]-4H-1,2-oxazole-5-carboxylic acid?
The InChIKey is MTAOTJSMRAZDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO4/c1-11(10(17)18)6-8(16-20-11)7-4-2-3-5-9(7)19-12(13,14)15/h2-5H,6H2,1H3,(H,17,18).
What are the key properties of 5-methyl-3-[2-(trifluoromethoxy)phenyl]-4H-1,2-oxazole-5-carboxylic acid?
5-methyl-3-[2-(trifluoromethoxy)phenyl]-4H-1,2-oxazole-5-carboxylic acid has a molecular weight of 289.21 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[2-(trifluoromethoxy)phenyl]-4H-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 102725111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).