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

C6H4F3NO3 — CID 82400699

IUPAC4-methyl-5-(trifluoromethyl)-1,3-oxazole-2-carboxylic acid
SMILESCc1nc(C(=O)O)oc1C(F)(F)F
InChIInChI=1S/C6H4F3NO3/c1-2-3(6(7,8)9)13-4(10-2)5(11)12/h1H3,(H,11,12)
InChIKeyOWKAYGQZVVGVNH-UHFFFAOYSA-N
MW195.10 g/mol
LogP1.70
Rot. Bonds1

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

4-methyl-5-(trifluoromethyl)-1,3-oxazole-2-carboxylic acid (PubChem CID 82400699) has the molecular formula C6H4F3NO3 and a molecular weight of 195.10 g/mol. Its IUPAC name is 4-methyl-5-(trifluoromethyl)-1,3-oxazole-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-5-(trifluoromethyl)-1,3-oxazole-2-carboxylic acid
PubChem CID82400699
Molecular FormulaC6H4F3NO3
Molecular Weight195.10 g/mol
Exact Mass195.01
IUPAC Name4-methyl-5-(trifluoromethyl)-1,3-oxazole-2-carboxylic acid
SMILESCc1nc(C(=O)O)oc1C(F)(F)F
InChIInChI=1S/C6H4F3NO3/c1-2-3(6(7,8)9)13-4(10-2)5(11)12/h1H3,(H,11,12)
InChIKeyOWKAYGQZVVGVNH-UHFFFAOYSA-N
XLogP1.70
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.10
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid
CID 2775645
5-(aminomethyl)-4-methyl-1,3-oxazole-2-carboxylic acid
CID 115012127
4-bromo-5-methyl-1,3-oxazole-2-carboxylic acid
CID 130056638
5-(3-hydroxyphenyl)-4-methyl-1,3-oxazole-2-carboxylic acid
CID 105473490
2-[4-methyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]ethanamine
CID 82401519
4-cyclopropyl-5-methyl-1,3-oxazole-2-carboxylic acid
CID 105433312
4-methyl-2,6-bis(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 83401347
5-amino-2,6-dimethyl-4-(trifluoromethyl)pyridine-3-carboxylic acid
CID 82389859
5-methyl-4-(2-methylpropyl)-1,3-oxazole-2-carboxylic acid
CID 105440469
4-(difluoromethyl)-6-methyl-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 118846473
ethane;ethyl 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate
CID 163295222
5-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazole-2-carbaldehyde
CID 84765912

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(trifluoromethyl)-1,3-oxazole-2-carboxylic acid?
The IUPAC name of 4-methyl-5-(trifluoromethyl)-1,3-oxazole-2-carboxylic acid (CID 82400699) is 4-methyl-5-(trifluoromethyl)-1,3-oxazole-2-carboxylic acid.
What is the SMILES notation for 4-methyl-5-(trifluoromethyl)-1,3-oxazole-2-carboxylic acid?
The canonical SMILES for 4-methyl-5-(trifluoromethyl)-1,3-oxazole-2-carboxylic acid is Cc1nc(C(=O)O)oc1C(F)(F)F.
What is the InChIKey of 4-methyl-5-(trifluoromethyl)-1,3-oxazole-2-carboxylic acid?
The InChIKey is OWKAYGQZVVGVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO3/c1-2-3(6(7,8)9)13-4(10-2)5(11)12/h1H3,(H,11,12).
What are the key properties of 4-methyl-5-(trifluoromethyl)-1,3-oxazole-2-carboxylic acid?
4-methyl-5-(trifluoromethyl)-1,3-oxazole-2-carboxylic acid has a molecular weight of 195.10 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(trifluoromethyl)-1,3-oxazole-2-carboxylic acid is sourced from PubChem (CID 82400699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).