2-(3-ethylhex-5-en-3-yl)-4,5-dihydro-1,3-oxazole

C11H19NO — CID 130343667

IUPAC2-(3-ethylhex-5-en-3-yl)-4,5-dihydro-1,3-oxazole
SMILESC=CCC(CC)(CC)C1=NCCO1
InChIInChI=1S/C11H19NO/c1-4-7-11(5-2,6-3)10-12-8-9-13-10/h4H,1,5-9H2,2-3H3
InChIKeyGABPIGLYLDLTTM-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.80
Rot. Bonds5

About 2-(3-ethylhex-5-en-3-yl)-4,5-dihydro-1,3-oxazole

2-(3-ethylhex-5-en-3-yl)-4,5-dihydro-1,3-oxazole (PubChem CID 130343667) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-(3-ethylhex-5-en-3-yl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(3-ethylhex-5-en-3-yl)-4,5-dihydro-1,3-oxazole
PubChem CID130343667
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-(3-ethylhex-5-en-3-yl)-4,5-dihydro-1,3-oxazole
SMILESC=CCC(CC)(CC)C1=NCCO1
InChIInChI=1S/C11H19NO/c1-4-7-11(5-2,6-3)10-12-8-9-13-10/h4H,1,5-9H2,2-3H3
InChIKeyGABPIGLYLDLTTM-UHFFFAOYSA-N
XLogP2.80
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylhex-5-en-3-yl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(3-ethylhex-5-en-3-yl)-4,5-dihydro-1,3-oxazole (CID 130343667) is 2-(3-ethylhex-5-en-3-yl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(3-ethylhex-5-en-3-yl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(3-ethylhex-5-en-3-yl)-4,5-dihydro-1,3-oxazole is C=CCC(CC)(CC)C1=NCCO1.
What is the InChIKey of 2-(3-ethylhex-5-en-3-yl)-4,5-dihydro-1,3-oxazole?
The InChIKey is GABPIGLYLDLTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-7-11(5-2,6-3)10-12-8-9-13-10/h4H,1,5-9H2,2-3H3.
What are the key properties of 2-(3-ethylhex-5-en-3-yl)-4,5-dihydro-1,3-oxazole?
2-(3-ethylhex-5-en-3-yl)-4,5-dihydro-1,3-oxazole has a molecular weight of 181.28 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylhex-5-en-3-yl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 130343667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).