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

C15H15NO5 — CID 102953817

IUPAC2-(4-tert-butylphenyl)-1,3-oxazole-4,5-dicarboxylic acid
SMILESCC(C)(C)c1ccc(-c2nc(C(=O)O)c(C(=O)O)o2)cc1
InChIInChI=1S/C15H15NO5/c1-15(2,3)9-6-4-8(5-7-9)12-16-10(13(17)18)11(21-12)14(19)20/h4-7H,1-3H3,(H,17,18)(H,19,20)
InChIKeyXGYGMHYXNCSLOA-UHFFFAOYSA-N
MW289.29 g/mol
LogP3.04
Rot. Bonds3

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

2-(4-tert-butylphenyl)-1,3-oxazole-4,5-dicarboxylic acid (PubChem CID 102953817) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-1,3-oxazole-4,5-dicarboxylic acid.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-1,3-oxazole-4,5-dicarboxylic acid
PubChem CID102953817
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name2-(4-tert-butylphenyl)-1,3-oxazole-4,5-dicarboxylic acid
SMILESCC(C)(C)c1ccc(-c2nc(C(=O)O)c(C(=O)O)o2)cc1
InChIInChI=1S/C15H15NO5/c1-15(2,3)9-6-4-8(5-7-9)12-16-10(13(17)18)11(21-12)14(19)20/h4-7H,1-3H3,(H,17,18)(H,19,20)
InChIKeyXGYGMHYXNCSLOA-UHFFFAOYSA-N
XLogP3.04
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-tert-butylphenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 103198975
2-(3,5-dimethylphenyl)-1,3-oxazole-4,5-dicarboxylic acid
CID 102953844
2-(3-methoxy-4-methylphenyl)-1,3-oxazole-4,5-dicarboxylic acid
CID 102953889
5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylic acid
CID 2782932
2-(3-fluoro-4-methoxyphenyl)-1,3-oxazole-4,5-dicarboxylic acid
CID 102953955
2-(4-methyl-3-nitrophenyl)-1,3-oxazole-4,5-dicarboxylic acid
CID 102953982
5-methyl-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-oxazole-4-carboxylic acid
CID 98018990
2-[4-(4-carboxy-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylic acid
CID 71408646
2-(4-chlorophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 4961939
[2-(4-tert-butylphenyl)-5-[4-(dimethylamino)phenyl]-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone
CID 142162458
[2-(4-tert-butylphenyl)-5-[4-(methylamino)phenyl]-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone
CID 70166259
2-(3-bromo-4-chlorophenyl)-4-tert-butyl-1,3-oxazole-5-carboxylic acid
CID 107995240

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-1,3-oxazole-4,5-dicarboxylic acid?
The IUPAC name of 2-(4-tert-butylphenyl)-1,3-oxazole-4,5-dicarboxylic acid (CID 102953817) is 2-(4-tert-butylphenyl)-1,3-oxazole-4,5-dicarboxylic acid.
What is the SMILES notation for 2-(4-tert-butylphenyl)-1,3-oxazole-4,5-dicarboxylic acid?
The canonical SMILES for 2-(4-tert-butylphenyl)-1,3-oxazole-4,5-dicarboxylic acid is CC(C)(C)c1ccc(-c2nc(C(=O)O)c(C(=O)O)o2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-1,3-oxazole-4,5-dicarboxylic acid?
The InChIKey is XGYGMHYXNCSLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c1-15(2,3)9-6-4-8(5-7-9)12-16-10(13(17)18)11(21-12)14(19)20/h4-7H,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 2-(4-tert-butylphenyl)-1,3-oxazole-4,5-dicarboxylic acid?
2-(4-tert-butylphenyl)-1,3-oxazole-4,5-dicarboxylic acid has a molecular weight of 289.29 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-1,3-oxazole-4,5-dicarboxylic acid is sourced from PubChem (CID 102953817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).