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

C12H8F3NO4 — CID 82631175

IUPAC5-[2-methoxy-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid
SMILESCOc1ccc(C(F)(F)F)cc1-c1cc(C(=O)O)no1
InChIInChI=1S/C12H8F3NO4/c1-19-9-3-2-6(12(13,14)15)4-7(9)10-5-8(11(17)18)16-20-10/h2-5H,1H3,(H,17,18)
InChIKeyPURWOPDHSAHCNY-UHFFFAOYSA-N
MW287.19 g/mol
LogP3.07
Rot. Bonds3

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

5-[2-methoxy-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 82631175) has the molecular formula C12H8F3NO4 and a molecular weight of 287.19 g/mol. Its IUPAC name is 5-[2-methoxy-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-methoxy-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid
PubChem CID82631175
Molecular FormulaC12H8F3NO4
Molecular Weight287.19 g/mol
Exact Mass287.04
IUPAC Name5-[2-methoxy-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid
SMILESCOc1ccc(C(F)(F)F)cc1-c1cc(C(=O)O)no1
InChIInChI=1S/C12H8F3NO4/c1-19-9-3-2-6(12(13,14)15)4-7(9)10-5-8(11(17)18)16-20-10/h2-5H,1H3,(H,17,18)
InChIKeyPURWOPDHSAHCNY-UHFFFAOYSA-N
XLogP3.07
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[2-methoxy-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-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

5-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 93189808
5-[4-methoxy-3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117463208
5-(4-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117345967
5-(4-bromo-2-hydroxy-5-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 136928752
4-[2-methoxy-5-(trifluoromethyl)phenyl]benzoic acid
CID 53218469
5-[6-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazole-3-carboxylic acid
CID 136985855
5-(2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 16792916
1-[5-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-3-yl]ethanone
CID 82129338
5-(4-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117386909
5-[2-fluoro-4-methoxy-3-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117451195
5-(4,5-dimethoxy-2-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117470400
5-(7-methoxy-1-benzothiophen-4-yl)-1,2-oxazole-3-carboxylic acid
CID 117439956

Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxy-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[2-methoxy-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid (CID 82631175) is 5-[2-methoxy-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[2-methoxy-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[2-methoxy-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid is COc1ccc(C(F)(F)F)cc1-c1cc(C(=O)O)no1.
What is the InChIKey of 5-[2-methoxy-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is PURWOPDHSAHCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO4/c1-19-9-3-2-6(12(13,14)15)4-7(9)10-5-8(11(17)18)16-20-10/h2-5H,1H3,(H,17,18).
What are the key properties of 5-[2-methoxy-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid?
5-[2-methoxy-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 287.19 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methoxy-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 82631175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).