5-octyl-1,2-oxazole

C11H19NO — CID 86100028

IUPAC5-octyl-1,2-oxazole
SMILESCCCCCCCCc1ccno1
InChIInChI=1S/C11H19NO/c1-2-3-4-5-6-7-8-11-9-10-12-13-11/h9-10H,2-8H2,1H3
InChIKeyKMRXZGHPUUAQOH-UHFFFAOYSA-N
MW181.28 g/mol
LogP3.58
Rot. Bonds7

About 5-octyl-1,2-oxazole

5-octyl-1,2-oxazole (PubChem CID 86100028) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 5-octyl-1,2-oxazole.

Molecular Properties

Compound Name5-octyl-1,2-oxazole
PubChem CID86100028
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name5-octyl-1,2-oxazole
SMILESCCCCCCCCc1ccno1
InChIInChI=1S/C11H19NO/c1-2-3-4-5-6-7-8-11-9-10-12-13-11/h9-10H,2-8H2,1H3
InChIKeyKMRXZGHPUUAQOH-UHFFFAOYSA-N
XLogP3.58
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 53.58
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 5-octyl-1,2-oxazole?
The IUPAC name of 5-octyl-1,2-oxazole (CID 86100028) is 5-octyl-1,2-oxazole.
What is the SMILES notation for 5-octyl-1,2-oxazole?
The canonical SMILES for 5-octyl-1,2-oxazole is CCCCCCCCc1ccno1.
What is the InChIKey of 5-octyl-1,2-oxazole?
The InChIKey is KMRXZGHPUUAQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-2-3-4-5-6-7-8-11-9-10-12-13-11/h9-10H,2-8H2,1H3.
What are the key properties of 5-octyl-1,2-oxazole?
5-octyl-1,2-oxazole has a molecular weight of 181.28 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-octyl-1,2-oxazole is sourced from PubChem (CID 86100028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).