3-(6-ethyloctan-4-yl)-4,5-dihydro-1,2-oxazole

C13H25NO — CID 23035833

IUPAC3-(6-ethyloctan-4-yl)-4,5-dihydro-1,2-oxazole
SMILESCCCC(CC(CC)CC)C1=NOCC1
InChIInChI=1S/C13H25NO/c1-4-7-12(10-11(5-2)6-3)13-8-9-15-14-13/h11-12H,4-10H2,1-3H3
InChIKeyLRGJBDBFKLGCFE-UHFFFAOYSA-N
MW211.35 g/mol
LogP4.01
Rot. Bonds7

About 3-(6-ethyloctan-4-yl)-4,5-dihydro-1,2-oxazole

3-(6-ethyloctan-4-yl)-4,5-dihydro-1,2-oxazole (PubChem CID 23035833) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 3-(6-ethyloctan-4-yl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(6-ethyloctan-4-yl)-4,5-dihydro-1,2-oxazole
PubChem CID23035833
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name3-(6-ethyloctan-4-yl)-4,5-dihydro-1,2-oxazole
SMILESCCCC(CC(CC)CC)C1=NOCC1
InChIInChI=1S/C13H25NO/c1-4-7-12(10-11(5-2)6-3)13-8-9-15-14-13/h11-12H,4-10H2,1-3H3
InChIKeyLRGJBDBFKLGCFE-UHFFFAOYSA-N
XLogP4.01
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(6-ethyloctan-4-yl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(6-ethyloctan-4-yl)-4,5-dihydro-1,2-oxazole (CID 23035833) is 3-(6-ethyloctan-4-yl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(6-ethyloctan-4-yl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(6-ethyloctan-4-yl)-4,5-dihydro-1,2-oxazole is CCCC(CC(CC)CC)C1=NOCC1.
What is the InChIKey of 3-(6-ethyloctan-4-yl)-4,5-dihydro-1,2-oxazole?
The InChIKey is LRGJBDBFKLGCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-7-12(10-11(5-2)6-3)13-8-9-15-14-13/h11-12H,4-10H2,1-3H3.
What are the key properties of 3-(6-ethyloctan-4-yl)-4,5-dihydro-1,2-oxazole?
3-(6-ethyloctan-4-yl)-4,5-dihydro-1,2-oxazole has a molecular weight of 211.35 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-ethyloctan-4-yl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 23035833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).