2-(3,5-dimethylphenyl)-5-ethoxy-1,3-oxazole-4-carboxylic acid

C14H15NO4 — CID 62885181

IUPAC2-(3,5-dimethylphenyl)-5-ethoxy-1,3-oxazole-4-carboxylic acid
SMILESCCOc1oc(-c2cc(C)cc(C)c2)nc1C(=O)O
InChIInChI=1S/C14H15NO4/c1-4-18-14-11(13(16)17)15-12(19-14)10-6-8(2)5-9(3)7-10/h5-7H,4H2,1-3H3,(H,16,17)
InChIKeyYBHQSGHSCOTMGT-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.06
Rot. Bonds4

About 2-(3,5-dimethylphenyl)-5-ethoxy-1,3-oxazole-4-carboxylic acid

2-(3,5-dimethylphenyl)-5-ethoxy-1,3-oxazole-4-carboxylic acid (PubChem CID 62885181) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-5-ethoxy-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-5-ethoxy-1,3-oxazole-4-carboxylic acid
PubChem CID62885181
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name2-(3,5-dimethylphenyl)-5-ethoxy-1,3-oxazole-4-carboxylic acid
SMILESCCOc1oc(-c2cc(C)cc(C)c2)nc1C(=O)O
InChIInChI=1S/C14H15NO4/c1-4-18-14-11(13(16)17)15-12(19-14)10-6-8(2)5-9(3)7-10/h5-7H,4H2,1-3H3,(H,16,17)
InChIKeyYBHQSGHSCOTMGT-UHFFFAOYSA-N
XLogP3.06
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethoxy-2-(3,4,5-trifluorophenyl)-1,3-oxazole-4-carboxylic acid
CID 63190215
2-(2,5-dimethylpyrazol-3-yl)-5-ethoxy-1,3-oxazole-4-carboxylic acid
CID 66128860
5-ethoxy-2-(5-methyl-1-benzofuran-2-yl)-1,3-oxazole-4-carboxylic acid
CID 62886755
5-ethoxy-2-(4-methylsulfonylphenyl)-1,3-oxazole-4-carboxylic acid
CID 62884828
2-(3,5-dimethylphenyl)-1,3-oxazole-4,5-dicarboxylic acid
CID 102953844
2-(2,4-dibromophenyl)-5-ethoxy-1,3-oxazole-4-carboxylic acid
CID 114018633
2-(2,2-dimethylpropyl)-5-ethoxy-1,3-oxazole-4-carboxylic acid
CID 62887106
5-ethoxy-2-naphthalen-1-yl-1,3-oxazole-4-carboxylic acid
CID 62885349
2-(5-bromothiophen-2-yl)-5-ethoxy-1,3-oxazole-4-carboxylic acid
CID 55127513
2-(2-chloro-4-fluorophenyl)-5-ethoxy-1,3-oxazole-4-carboxylic acid
CID 62887458
ethyl 5-ethoxy-2-(4-fluorophenyl)-1,3-oxazole-4-carboxylate
CID 42883064
5-ethoxy-2-(2,2,2-trifluoroethoxymethyl)-1,3-oxazole-4-carboxylic acid
CID 103212093

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-5-ethoxy-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(3,5-dimethylphenyl)-5-ethoxy-1,3-oxazole-4-carboxylic acid (CID 62885181) is 2-(3,5-dimethylphenyl)-5-ethoxy-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-5-ethoxy-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(3,5-dimethylphenyl)-5-ethoxy-1,3-oxazole-4-carboxylic acid is CCOc1oc(-c2cc(C)cc(C)c2)nc1C(=O)O.
What is the InChIKey of 2-(3,5-dimethylphenyl)-5-ethoxy-1,3-oxazole-4-carboxylic acid?
The InChIKey is YBHQSGHSCOTMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-4-18-14-11(13(16)17)15-12(19-14)10-6-8(2)5-9(3)7-10/h5-7H,4H2,1-3H3,(H,16,17).
What are the key properties of 2-(3,5-dimethylphenyl)-5-ethoxy-1,3-oxazole-4-carboxylic acid?
2-(3,5-dimethylphenyl)-5-ethoxy-1,3-oxazole-4-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-5-ethoxy-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 62885181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).