5-(3-butoxyphenyl)-1,2-oxazole

C13H15NO2 — CID 11160258

IUPAC5-(3-butoxyphenyl)-1,2-oxazole
SMILESCCCCOc1cccc(-c2ccno2)c1
InChIInChI=1S/C13H15NO2/c1-2-3-9-15-12-6-4-5-11(10-12)13-7-8-14-16-13/h4-8,10H,2-3,9H2,1H3
InChIKeyWQYJPEHBLXPHHJ-UHFFFAOYSA-N
MW217.27 g/mol
LogP3.52
Rot. Bonds5

About 5-(3-butoxyphenyl)-1,2-oxazole

5-(3-butoxyphenyl)-1,2-oxazole (PubChem CID 11160258) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 5-(3-butoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(3-butoxyphenyl)-1,2-oxazole
PubChem CID11160258
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name5-(3-butoxyphenyl)-1,2-oxazole
SMILESCCCCOc1cccc(-c2ccno2)c1
InChIInChI=1S/C13H15NO2/c1-2-3-9-15-12-6-4-5-11(10-12)13-7-8-14-16-13/h4-8,10H,2-3,9H2,1H3
InChIKeyWQYJPEHBLXPHHJ-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 5-(3-butoxyphenyl)-1,2-oxazole?
The IUPAC name of 5-(3-butoxyphenyl)-1,2-oxazole (CID 11160258) is 5-(3-butoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 5-(3-butoxyphenyl)-1,2-oxazole?
The canonical SMILES for 5-(3-butoxyphenyl)-1,2-oxazole is CCCCOc1cccc(-c2ccno2)c1.
What is the InChIKey of 5-(3-butoxyphenyl)-1,2-oxazole?
The InChIKey is WQYJPEHBLXPHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-2-3-9-15-12-6-4-5-11(10-12)13-7-8-14-16-13/h4-8,10H,2-3,9H2,1H3.
What are the key properties of 5-(3-butoxyphenyl)-1,2-oxazole?
5-(3-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 5-(3-butoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 11160258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).