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

C14H13NO4 — CID 117401327

IUPAC3-(4-cyclobutyloxyphenyl)-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(OC3CCC3)cc2)no1
InChIInChI=1S/C14H13NO4/c16-14(17)13-8-12(15-19-13)9-4-6-11(7-5-9)18-10-2-1-3-10/h4-8,10H,1-3H2,(H,16,17)
InChIKeyQQKCHXRFDMLZLK-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.97
Rot. Bonds4

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

3-(4-cyclobutyloxyphenyl)-1,2-oxazole-5-carboxylic acid (PubChem CID 117401327) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 3-(4-cyclobutyloxyphenyl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-cyclobutyloxyphenyl)-1,2-oxazole-5-carboxylic acid
PubChem CID117401327
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name3-(4-cyclobutyloxyphenyl)-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(OC3CCC3)cc2)no1
InChIInChI=1S/C14H13NO4/c16-14(17)13-8-12(15-19-13)9-4-6-11(7-5-9)18-10-2-1-3-10/h4-8,10H,1-3H2,(H,16,17)
InChIKeyQQKCHXRFDMLZLK-UHFFFAOYSA-N
XLogP2.97
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclobutyloxyphenyl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(4-cyclobutyloxyphenyl)-1,2-oxazole-5-carboxylic acid (CID 117401327) is 3-(4-cyclobutyloxyphenyl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-cyclobutyloxyphenyl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(4-cyclobutyloxyphenyl)-1,2-oxazole-5-carboxylic acid is O=C(O)c1cc(-c2ccc(OC3CCC3)cc2)no1.
What is the InChIKey of 3-(4-cyclobutyloxyphenyl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is QQKCHXRFDMLZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c16-14(17)13-8-12(15-19-13)9-4-6-11(7-5-9)18-10-2-1-3-10/h4-8,10H,1-3H2,(H,16,17).
What are the key properties of 3-(4-cyclobutyloxyphenyl)-1,2-oxazole-5-carboxylic acid?
3-(4-cyclobutyloxyphenyl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 259.26 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclobutyloxyphenyl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 117401327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).