4-tert-butyl-2-(2-ethoxyphenyl)-1,3-oxazole-5-carboxylic acid

C16H19NO4 — CID 114372930

IUPAC4-tert-butyl-2-(2-ethoxyphenyl)-1,3-oxazole-5-carboxylic acid
SMILESCCOc1ccccc1-c1nc(C(C)(C)C)c(C(=O)O)o1
InChIInChI=1S/C16H19NO4/c1-5-20-11-9-7-6-8-10(11)14-17-13(16(2,3)4)12(21-14)15(18)19/h6-9H,5H2,1-4H3,(H,18,19)
InChIKeyKDRXOZAUGVKWHD-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.74
Rot. Bonds4

About 4-tert-butyl-2-(2-ethoxyphenyl)-1,3-oxazole-5-carboxylic acid

4-tert-butyl-2-(2-ethoxyphenyl)-1,3-oxazole-5-carboxylic acid (PubChem CID 114372930) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-tert-butyl-2-(2-ethoxyphenyl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-tert-butyl-2-(2-ethoxyphenyl)-1,3-oxazole-5-carboxylic acid
PubChem CID114372930
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name4-tert-butyl-2-(2-ethoxyphenyl)-1,3-oxazole-5-carboxylic acid
SMILESCCOc1ccccc1-c1nc(C(C)(C)C)c(C(=O)O)o1
InChIInChI=1S/C16H19NO4/c1-5-20-11-9-7-6-8-10(11)14-17-13(16(2,3)4)12(21-14)15(18)19/h6-9H,5H2,1-4H3,(H,18,19)
InChIKeyKDRXOZAUGVKWHD-UHFFFAOYSA-N
XLogP3.74
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromo-2-methylphenyl)-4-tert-butyl-1,3-oxazole-5-carboxylic acid
CID 114372947
4-tert-butyl-2-(2,4-dimethylphenyl)-1,3-oxazole-5-carboxylic acid
CID 114372986
4-tert-butyl-2-pyrazolo[1,5-a]pyridin-3-yl-1,3-oxazole-5-carboxylic acid
CID 103123520
2-(2-tert-butylphenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842363
3-[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
CID 39362077
4-tert-butyl-2-(3-methoxythiophen-2-yl)-1,3-oxazole-5-carboxylic acid
CID 114372915
2-tert-butyl-3-[2-(2-ethoxyphenyl)ethyl]benzoic acid
CID 151630765
2-(2-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 43140171
2-(2-ethoxyphenyl)-6-methyl-3,1-benzoxazin-4-one
CID 9320225
2-(2-ethoxyphenyl)-4-ethylpyrimidine-5-carboxylic acid
CID 115534194
2-ethoxybenzoic acid;zinc
CID 172723273
N-[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,2,2-trifluoroacetamide
CID 92644483

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(2-ethoxyphenyl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 4-tert-butyl-2-(2-ethoxyphenyl)-1,3-oxazole-5-carboxylic acid (CID 114372930) is 4-tert-butyl-2-(2-ethoxyphenyl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-tert-butyl-2-(2-ethoxyphenyl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 4-tert-butyl-2-(2-ethoxyphenyl)-1,3-oxazole-5-carboxylic acid is CCOc1ccccc1-c1nc(C(C)(C)C)c(C(=O)O)o1.
What is the InChIKey of 4-tert-butyl-2-(2-ethoxyphenyl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is KDRXOZAUGVKWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-5-20-11-9-7-6-8-10(11)14-17-13(16(2,3)4)12(21-14)15(18)19/h6-9H,5H2,1-4H3,(H,18,19).
What are the key properties of 4-tert-butyl-2-(2-ethoxyphenyl)-1,3-oxazole-5-carboxylic acid?
4-tert-butyl-2-(2-ethoxyphenyl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 289.33 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(2-ethoxyphenyl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 114372930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).