2-(4-hexylphenyl)-1,3-oxazole

C15H19NO — CID 91232487

IUPAC2-(4-hexylphenyl)-1,3-oxazole
SMILESCCCCCCc1ccc(-c2ncco2)cc1
InChIInChI=1S/C15H19NO/c1-2-3-4-5-6-13-7-9-14(10-8-13)15-16-11-12-17-15/h7-12H,2-6H2,1H3
InChIKeyMSHLRSIZLXIMNW-UHFFFAOYSA-N
MW229.32 g/mol
LogP4.46
Rot. Bonds6

About 2-(4-hexylphenyl)-1,3-oxazole

2-(4-hexylphenyl)-1,3-oxazole (PubChem CID 91232487) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-(4-hexylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(4-hexylphenyl)-1,3-oxazole
PubChem CID91232487
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name2-(4-hexylphenyl)-1,3-oxazole
SMILESCCCCCCc1ccc(-c2ncco2)cc1
InChIInChI=1S/C15H19NO/c1-2-3-4-5-6-13-7-9-14(10-8-13)15-16-11-12-17-15/h7-12H,2-6H2,1H3
InChIKeyMSHLRSIZLXIMNW-UHFFFAOYSA-N
XLogP4.46
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hexylphenyl)-1,3-oxazole?
The IUPAC name of 2-(4-hexylphenyl)-1,3-oxazole (CID 91232487) is 2-(4-hexylphenyl)-1,3-oxazole.
What is the SMILES notation for 2-(4-hexylphenyl)-1,3-oxazole?
The canonical SMILES for 2-(4-hexylphenyl)-1,3-oxazole is CCCCCCc1ccc(-c2ncco2)cc1.
What is the InChIKey of 2-(4-hexylphenyl)-1,3-oxazole?
The InChIKey is MSHLRSIZLXIMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-2-3-4-5-6-13-7-9-14(10-8-13)15-16-11-12-17-15/h7-12H,2-6H2,1H3.
What are the key properties of 2-(4-hexylphenyl)-1,3-oxazole?
2-(4-hexylphenyl)-1,3-oxazole has a molecular weight of 229.32 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hexylphenyl)-1,3-oxazole is sourced from PubChem (CID 91232487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).