2-(4-tert-butylphenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylic acid

C15H15F2NO3 — CID 103198975

IUPAC2-(4-tert-butylphenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylic acid
SMILESCC(C)(C)c1ccc(-c2nc(C(F)F)c(C(=O)O)o2)cc1
InChIInChI=1S/C15H15F2NO3/c1-15(2,3)9-6-4-8(5-7-9)13-18-10(12(16)17)11(21-13)14(19)20/h4-7,12H,1-3H3,(H,19,20)
InChIKeyMGVKBALMEPHJSS-UHFFFAOYSA-N
MW295.29 g/mol
LogP4.27
Rot. Bonds3

About 2-(4-tert-butylphenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylic acid

2-(4-tert-butylphenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylic acid (PubChem CID 103198975) has the molecular formula C15H15F2NO3 and a molecular weight of 295.29 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylic acid
PubChem CID103198975
Molecular FormulaC15H15F2NO3
Molecular Weight295.29 g/mol
Exact Mass295.10
IUPAC Name2-(4-tert-butylphenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylic acid
SMILESCC(C)(C)c1ccc(-c2nc(C(F)F)c(C(=O)O)o2)cc1
InChIInChI=1S/C15H15F2NO3/c1-15(2,3)9-6-4-8(5-7-9)13-18-10(12(16)17)11(21-13)14(19)20/h4-7,12H,1-3H3,(H,19,20)
InChIKeyMGVKBALMEPHJSS-UHFFFAOYSA-N
XLogP4.27
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-tert-butylphenyl)-4-(difluoromethyl)-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

Related Compounds

4-(difluoromethyl)-2-(4-methylsulfonylphenyl)-1,3-oxazole-5-carboxylic acid
CID 103198970
2-(4-tert-butylphenyl)-1,3-oxazole-4,5-dicarboxylic acid
CID 102953817
2-(4-bromo-3-methylphenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 103198896
4-(difluoromethyl)-2-(3-fluoro-4-methoxyphenyl)-1,3-oxazole-5-carboxylic acid
CID 103198823
4-(difluoromethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazole-5-carboxylic acid
CID 103198964
4-(difluoromethyl)-2-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxylic acid
CID 103198841
2-(2,6-dichlorophenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 103198901
4-(difluoromethyl)-2-(3-propoxyphenyl)-1,3-oxazole-5-carboxylic acid
CID 103198883
2-(4-cyanophenyl)-4-methyl-1,3-oxazole-5-carboxylic acid
CID 58610248
2-(3-bromo-2-fluorophenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 107953427
4-(difluoromethyl)-2-(2-methyl-6-nitrophenyl)-1,3-oxazole-5-carboxylic acid
CID 103198972
4-(difluoromethyl)-2-(2-methyl-3-nitrophenyl)-1,3-oxazole-5-carboxylic acid
CID 103198835

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-(4-tert-butylphenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylic acid (CID 103198975) is 2-(4-tert-butylphenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-(4-tert-butylphenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-(4-tert-butylphenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylic acid is CC(C)(C)c1ccc(-c2nc(C(F)F)c(C(=O)O)o2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is MGVKBALMEPHJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO3/c1-15(2,3)9-6-4-8(5-7-9)13-18-10(12(16)17)11(21-13)14(19)20/h4-7,12H,1-3H3,(H,19,20).
What are the key properties of 2-(4-tert-butylphenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylic acid?
2-(4-tert-butylphenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 295.29 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 103198975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).