2-butyl-4-hexyl-1,3-oxazole

C13H23NO — CID 91086140

IUPAC2-butyl-4-hexyl-1,3-oxazole
SMILESCCCCCCc1coc(CCCC)n1
InChIInChI=1S/C13H23NO/c1-3-5-7-8-9-12-11-15-13(14-12)10-6-4-2/h11H,3-10H2,1-2H3
InChIKeyMSBNNYSOHDLTEF-UHFFFAOYSA-N
MW209.33 g/mol
LogP4.14
Rot. Bonds8

About 2-butyl-4-hexyl-1,3-oxazole

2-butyl-4-hexyl-1,3-oxazole (PubChem CID 91086140) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-butyl-4-hexyl-1,3-oxazole.

Molecular Properties

Compound Name2-butyl-4-hexyl-1,3-oxazole
PubChem CID91086140
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-butyl-4-hexyl-1,3-oxazole
SMILESCCCCCCc1coc(CCCC)n1
InChIInChI=1S/C13H23NO/c1-3-5-7-8-9-12-11-15-13(14-12)10-6-4-2/h11H,3-10H2,1-2H3
InChIKeyMSBNNYSOHDLTEF-UHFFFAOYSA-N
XLogP4.14
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 54.14
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-butyl-4-hexyl-1,3-oxazole?
The IUPAC name of 2-butyl-4-hexyl-1,3-oxazole (CID 91086140) is 2-butyl-4-hexyl-1,3-oxazole.
What is the SMILES notation for 2-butyl-4-hexyl-1,3-oxazole?
The canonical SMILES for 2-butyl-4-hexyl-1,3-oxazole is CCCCCCc1coc(CCCC)n1.
What is the InChIKey of 2-butyl-4-hexyl-1,3-oxazole?
The InChIKey is MSBNNYSOHDLTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-3-5-7-8-9-12-11-15-13(14-12)10-6-4-2/h11H,3-10H2,1-2H3.
What are the key properties of 2-butyl-4-hexyl-1,3-oxazole?
2-butyl-4-hexyl-1,3-oxazole has a molecular weight of 209.33 g/mol, XLogP of 4.14, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-hexyl-1,3-oxazole is sourced from PubChem (CID 91086140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).