2-(2,3,5,6-tetramethylphenyl)-1,3-oxazole-4-carboxylic acid

C14H15NO3 — CID 82478867

IUPAC2-(2,3,5,6-tetramethylphenyl)-1,3-oxazole-4-carboxylic acid
SMILESCc1cc(C)c(C)c(-c2nc(C(=O)O)co2)c1C
InChIInChI=1S/C14H15NO3/c1-7-5-8(2)10(4)12(9(7)3)13-15-11(6-18-13)14(16)17/h5-6H,1-4H3,(H,16,17)
InChIKeyXTPFEWZOCDVIBU-UHFFFAOYSA-N
MW245.28 g/mol
LogP3.27
Rot. Bonds2

About 2-(2,3,5,6-tetramethylphenyl)-1,3-oxazole-4-carboxylic acid

2-(2,3,5,6-tetramethylphenyl)-1,3-oxazole-4-carboxylic acid (PubChem CID 82478867) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(2,3,5,6-tetramethylphenyl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,3,5,6-tetramethylphenyl)-1,3-oxazole-4-carboxylic acid
PubChem CID82478867
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name2-(2,3,5,6-tetramethylphenyl)-1,3-oxazole-4-carboxylic acid
SMILESCc1cc(C)c(C)c(-c2nc(C(=O)O)co2)c1C
InChIInChI=1S/C14H15NO3/c1-7-5-8(2)10(4)12(9(7)3)13-15-11(6-18-13)14(16)17/h5-6H,1-4H3,(H,16,17)
InChIKeyXTPFEWZOCDVIBU-UHFFFAOYSA-N
XLogP3.27
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxy-4,6-dimethylphenyl)-1,3-oxazole-4-carboxylic acid
CID 82479713
2-(5-fluoro-2-methylphenyl)-1,3-oxazole-4-carboxylic acid
CID 63048806
2-(2-methylsulfonylpyrimidin-5-yl)-1,3-oxazole-4-carboxylic acid
CID 139295221
2-(1-methylpyrazol-3-yl)-1,3-oxazole-4-carboxylic acid
CID 103122282
ethane;2-methyl-1,3-oxazole-4-carboxylic acid
CID 144678746
2-(4-methoxy-2,3-dimethylphenyl)-1,3-oxazole-4-carboxylic acid
CID 82479704
2-(2,4,5-trimethoxyphenyl)-1,3-oxazole-4-carboxylic acid
CID 62234680
2-(1-methylimidazol-4-yl)-1,3-oxazole-4-carboxylic acid
CID 107974655
2-[2-(hydroxyamino)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid
CID 137218916
2-(2,4-dibromophenyl)-1,3-oxazole-4-carboxylic acid
CID 107940915
2-(1,3-oxazol-4-yl)-1,3-oxazole-4-carboxylic acid
CID 58443555
2-(2-fluoro-4-methylsulfanylphenyl)-1,3-oxazole-4-carboxylic acid
CID 144563914

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,5,6-tetramethylphenyl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(2,3,5,6-tetramethylphenyl)-1,3-oxazole-4-carboxylic acid (CID 82478867) is 2-(2,3,5,6-tetramethylphenyl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(2,3,5,6-tetramethylphenyl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(2,3,5,6-tetramethylphenyl)-1,3-oxazole-4-carboxylic acid is Cc1cc(C)c(C)c(-c2nc(C(=O)O)co2)c1C.
What is the InChIKey of 2-(2,3,5,6-tetramethylphenyl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is XTPFEWZOCDVIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-7-5-8(2)10(4)12(9(7)3)13-15-11(6-18-13)14(16)17/h5-6H,1-4H3,(H,16,17).
What are the key properties of 2-(2,3,5,6-tetramethylphenyl)-1,3-oxazole-4-carboxylic acid?
2-(2,3,5,6-tetramethylphenyl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,5,6-tetramethylphenyl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 82478867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).