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

C15H17NO3 — CID 82301029

IUPAC5-(5-tert-butyl-2-methylphenyl)-1,2-oxazole-4-carboxylic acid
SMILESCc1ccc(C(C)(C)C)cc1-c1oncc1C(=O)O
InChIInChI=1S/C15H17NO3/c1-9-5-6-10(15(2,3)4)7-11(9)13-12(14(17)18)8-16-19-13/h5-8H,1-4H3,(H,17,18)
InChIKeyLIYMPZBRGWTYDC-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.65
Rot. Bonds2

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

5-(5-tert-butyl-2-methylphenyl)-1,2-oxazole-4-carboxylic acid (PubChem CID 82301029) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-(5-tert-butyl-2-methylphenyl)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(5-tert-butyl-2-methylphenyl)-1,2-oxazole-4-carboxylic acid
PubChem CID82301029
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name5-(5-tert-butyl-2-methylphenyl)-1,2-oxazole-4-carboxylic acid
SMILESCc1ccc(C(C)(C)C)cc1-c1oncc1C(=O)O
InChIInChI=1S/C15H17NO3/c1-9-5-6-10(15(2,3)4)7-11(9)13-12(14(17)18)8-16-19-13/h5-8H,1-4H3,(H,17,18)
InChIKeyLIYMPZBRGWTYDC-UHFFFAOYSA-N
XLogP3.65
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-tert-butyl-2-methylphenyl)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-(5-tert-butyl-2-methylphenyl)-1,2-oxazole-4-carboxylic acid (CID 82301029) is 5-(5-tert-butyl-2-methylphenyl)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(5-tert-butyl-2-methylphenyl)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(5-tert-butyl-2-methylphenyl)-1,2-oxazole-4-carboxylic acid is Cc1ccc(C(C)(C)C)cc1-c1oncc1C(=O)O.
What is the InChIKey of 5-(5-tert-butyl-2-methylphenyl)-1,2-oxazole-4-carboxylic acid?
The InChIKey is LIYMPZBRGWTYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-9-5-6-10(15(2,3)4)7-11(9)13-12(14(17)18)8-16-19-13/h5-8H,1-4H3,(H,17,18).
What are the key properties of 5-(5-tert-butyl-2-methylphenyl)-1,2-oxazole-4-carboxylic acid?
5-(5-tert-butyl-2-methylphenyl)-1,2-oxazole-4-carboxylic acid has a molecular weight of 259.31 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-tert-butyl-2-methylphenyl)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 82301029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).