4-ethyl-5-octyl-1,2-oxazol-3-amine

C13H24N2O — CID 66198232

IUPAC4-ethyl-5-octyl-1,2-oxazol-3-amine
SMILESCCCCCCCCc1onc(N)c1CC
InChIInChI=1S/C13H24N2O/c1-3-5-6-7-8-9-10-12-11(4-2)13(14)15-16-12/h3-10H2,1-2H3,(H2,14,15)
InChIKeyWQXOXYWWIAJLBY-UHFFFAOYSA-N
MW224.35 g/mol
LogP3.72
Rot. Bonds8

About 4-ethyl-5-octyl-1,2-oxazol-3-amine

4-ethyl-5-octyl-1,2-oxazol-3-amine (PubChem CID 66198232) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 4-ethyl-5-octyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-ethyl-5-octyl-1,2-oxazol-3-amine
PubChem CID66198232
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name4-ethyl-5-octyl-1,2-oxazol-3-amine
SMILESCCCCCCCCc1onc(N)c1CC
InChIInChI=1S/C13H24N2O/c1-3-5-6-7-8-9-10-12-11(4-2)13(14)15-16-12/h3-10H2,1-2H3,(H2,14,15)
InChIKeyWQXOXYWWIAJLBY-UHFFFAOYSA-N
XLogP3.72
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.72
H-Bond Donors ≤ 51
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 4-ethyl-5-octyl-1,2-oxazol-3-amine?
The IUPAC name of 4-ethyl-5-octyl-1,2-oxazol-3-amine (CID 66198232) is 4-ethyl-5-octyl-1,2-oxazol-3-amine.
What is the SMILES notation for 4-ethyl-5-octyl-1,2-oxazol-3-amine?
The canonical SMILES for 4-ethyl-5-octyl-1,2-oxazol-3-amine is CCCCCCCCc1onc(N)c1CC.
What is the InChIKey of 4-ethyl-5-octyl-1,2-oxazol-3-amine?
The InChIKey is WQXOXYWWIAJLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-3-5-6-7-8-9-10-12-11(4-2)13(14)15-16-12/h3-10H2,1-2H3,(H2,14,15).
What are the key properties of 4-ethyl-5-octyl-1,2-oxazol-3-amine?
4-ethyl-5-octyl-1,2-oxazol-3-amine has a molecular weight of 224.35 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-octyl-1,2-oxazol-3-amine is sourced from PubChem (CID 66198232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).