5-(4-ethylphenyl)-1,3-oxazole

C11H11NO — CID 59545236

IUPAC5-(4-ethylphenyl)-1,3-oxazole
SMILESCCc1ccc(-c2cnco2)cc1
InChIInChI=1S/C11H11NO/c1-2-9-3-5-10(6-4-9)11-7-12-8-13-11/h3-8H,2H2,1H3
InChIKeyJIAGPLLFPMVWIZ-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.90
Rot. Bonds2

About 5-(4-ethylphenyl)-1,3-oxazole

5-(4-ethylphenyl)-1,3-oxazole (PubChem CID 59545236) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 5-(4-ethylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(4-ethylphenyl)-1,3-oxazole
PubChem CID59545236
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name5-(4-ethylphenyl)-1,3-oxazole
SMILESCCc1ccc(-c2cnco2)cc1
InChIInChI=1S/C11H11NO/c1-2-9-3-5-10(6-4-9)11-7-12-8-13-11/h3-8H,2H2,1H3
InChIKeyJIAGPLLFPMVWIZ-UHFFFAOYSA-N
XLogP2.90
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylphenyl)-1,3-oxazole?
The IUPAC name of 5-(4-ethylphenyl)-1,3-oxazole (CID 59545236) is 5-(4-ethylphenyl)-1,3-oxazole.
What is the SMILES notation for 5-(4-ethylphenyl)-1,3-oxazole?
The canonical SMILES for 5-(4-ethylphenyl)-1,3-oxazole is CCc1ccc(-c2cnco2)cc1.
What is the InChIKey of 5-(4-ethylphenyl)-1,3-oxazole?
The InChIKey is JIAGPLLFPMVWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-2-9-3-5-10(6-4-9)11-7-12-8-13-11/h3-8H,2H2,1H3.
What are the key properties of 5-(4-ethylphenyl)-1,3-oxazole?
5-(4-ethylphenyl)-1,3-oxazole has a molecular weight of 173.21 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylphenyl)-1,3-oxazole is sourced from PubChem (CID 59545236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).