2-octyl-4,5-dihydro-1,3-oxazole

C11H21NO — CID 22999542

IUPAC2-octyl-4,5-dihydro-1,3-oxazole
SMILESCCCCCCCCC1=NCCO1
InChIInChI=1S/C11H21NO/c1-2-3-4-5-6-7-8-11-12-9-10-13-11/h2-10H2,1H3
InChIKeyLRTZAUAUUUURAF-UHFFFAOYSA-N
MW183.29 g/mol
LogP3.17
Rot. Bonds7

About 2-octyl-4,5-dihydro-1,3-oxazole

2-octyl-4,5-dihydro-1,3-oxazole (PubChem CID 22999542) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-octyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-octyl-4,5-dihydro-1,3-oxazole
PubChem CID22999542
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-octyl-4,5-dihydro-1,3-oxazole
SMILESCCCCCCCCC1=NCCO1
InChIInChI=1S/C11H21NO/c1-2-3-4-5-6-7-8-11-12-9-10-13-11/h2-10H2,1H3
InChIKeyLRTZAUAUUUURAF-UHFFFAOYSA-N
XLogP3.17
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-octyl-4,5-dihydro-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-octyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-octyl-4,5-dihydro-1,3-oxazole (CID 22999542) is 2-octyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-octyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-octyl-4,5-dihydro-1,3-oxazole is CCCCCCCCC1=NCCO1.
What is the InChIKey of 2-octyl-4,5-dihydro-1,3-oxazole?
The InChIKey is LRTZAUAUUUURAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-3-4-5-6-7-8-11-12-9-10-13-11/h2-10H2,1H3.
What are the key properties of 2-octyl-4,5-dihydro-1,3-oxazole?
2-octyl-4,5-dihydro-1,3-oxazole has a molecular weight of 183.29 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 22999542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).