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

C16H19NO3 — CID 104842363

IUPAC2-(2-tert-butylphenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
SMILESCCc1nc(-c2ccccc2C(C)(C)C)oc1C(=O)O
InChIInChI=1S/C16H19NO3/c1-5-12-13(15(18)19)20-14(17-12)10-8-6-7-9-11(10)16(2,3)4/h6-9H,5H2,1-4H3,(H,18,19)
InChIKeyWZOOFBJWTCIVMK-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.90
Rot. Bonds3

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

2-(2-tert-butylphenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid (PubChem CID 104842363) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-(2-tert-butylphenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-tert-butylphenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
PubChem CID104842363
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-(2-tert-butylphenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
SMILESCCc1nc(-c2ccccc2C(C)(C)C)oc1C(=O)O
InChIInChI=1S/C16H19NO3/c1-5-12-13(15(18)19)20-14(17-12)10-8-6-7-9-11(10)16(2,3)4/h6-9H,5H2,1-4H3,(H,18,19)
InChIKeyWZOOFBJWTCIVMK-UHFFFAOYSA-N
XLogP3.90
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-(2-tert-butylphenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid (CID 104842363) is 2-(2-tert-butylphenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-tert-butylphenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-(2-tert-butylphenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid is CCc1nc(-c2ccccc2C(C)(C)C)oc1C(=O)O.
What is the InChIKey of 2-(2-tert-butylphenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid?
The InChIKey is WZOOFBJWTCIVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-5-12-13(15(18)19)20-14(17-12)10-8-6-7-9-11(10)16(2,3)4/h6-9H,5H2,1-4H3,(H,18,19).
What are the key properties of 2-(2-tert-butylphenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid?
2-(2-tert-butylphenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid has a molecular weight of 273.33 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylphenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 104842363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).