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

C10H12F3NO3 — CID 103199394

IUPAC2-(3-methylbutan-2-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
SMILESCC(C)C(C)c1nc(C(F)(F)F)c(C(=O)O)o1
InChIInChI=1S/C10H12F3NO3/c1-4(2)5(3)8-14-7(10(11,12)13)6(17-8)9(15)16/h4-5H,1-3H3,(H,15,16)
InChIKeyBJFNIUFFAVYTIL-UHFFFAOYSA-N
MW251.20 g/mol
LogP3.15
Rot. Bonds3

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

2-(3-methylbutan-2-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid (PubChem CID 103199394) has the molecular formula C10H12F3NO3 and a molecular weight of 251.20 g/mol. Its IUPAC name is 2-(3-methylbutan-2-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-methylbutan-2-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
PubChem CID103199394
Molecular FormulaC10H12F3NO3
Molecular Weight251.20 g/mol
Exact Mass251.08
IUPAC Name2-(3-methylbutan-2-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
SMILESCC(C)C(C)c1nc(C(F)(F)F)c(C(=O)O)o1
InChIInChI=1S/C10H12F3NO3/c1-4(2)5(3)8-14-7(10(11,12)13)6(17-8)9(15)16/h4-5H,1-3H3,(H,15,16)
InChIKeyBJFNIUFFAVYTIL-UHFFFAOYSA-N
XLogP3.15
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.20
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-methylbutan-2-yl)-4-(trifluoromethyl)-1,3-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

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutan-2-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-(3-methylbutan-2-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid (CID 103199394) is 2-(3-methylbutan-2-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-(3-methylbutan-2-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-(3-methylbutan-2-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid is CC(C)C(C)c1nc(C(F)(F)F)c(C(=O)O)o1.
What is the InChIKey of 2-(3-methylbutan-2-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is BJFNIUFFAVYTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO3/c1-4(2)5(3)8-14-7(10(11,12)13)6(17-8)9(15)16/h4-5H,1-3H3,(H,15,16).
What are the key properties of 2-(3-methylbutan-2-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
2-(3-methylbutan-2-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 251.20 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutan-2-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 103199394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).