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

C13H15NO2 — CID 11378954

IUPAC3-(4-butoxyphenyl)-1,2-oxazole
SMILESCCCCOc1ccc(-c2ccon2)cc1
InChIInChI=1S/C13H15NO2/c1-2-3-9-15-12-6-4-11(5-7-12)13-8-10-16-14-13/h4-8,10H,2-3,9H2,1H3
InChIKeyCCLDRSRWGWGQAI-UHFFFAOYSA-N
MW217.27 g/mol
LogP3.52
Rot. Bonds5

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

3-(4-butoxyphenyl)-1,2-oxazole (PubChem CID 11378954) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-(4-butoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(4-butoxyphenyl)-1,2-oxazole
PubChem CID11378954
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name3-(4-butoxyphenyl)-1,2-oxazole
SMILESCCCCOc1ccc(-c2ccon2)cc1
InChIInChI=1S/C13H15NO2/c1-2-3-9-15-12-6-4-11(5-7-12)13-8-10-16-14-13/h4-8,10H,2-3,9H2,1H3
InChIKeyCCLDRSRWGWGQAI-UHFFFAOYSA-N
XLogP3.52
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-(4-butoxyphenyl)-1,2-oxazole?
The IUPAC name of 3-(4-butoxyphenyl)-1,2-oxazole (CID 11378954) is 3-(4-butoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 3-(4-butoxyphenyl)-1,2-oxazole?
The canonical SMILES for 3-(4-butoxyphenyl)-1,2-oxazole is CCCCOc1ccc(-c2ccon2)cc1.
What is the InChIKey of 3-(4-butoxyphenyl)-1,2-oxazole?
The InChIKey is CCLDRSRWGWGQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-2-3-9-15-12-6-4-11(5-7-12)13-8-10-16-14-13/h4-8,10H,2-3,9H2,1H3.
What are the key properties of 3-(4-butoxyphenyl)-1,2-oxazole?
3-(4-butoxyphenyl)-1,2-oxazole has a molecular weight of 217.27 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 11378954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).