3-hexyl-5-phenyl-1,3-oxazolidin-2-one

C15H21NO2 — CID 45113361

IUPAC3-hexyl-5-phenyl-1,3-oxazolidin-2-one
SMILESCCCCCCN1CC(c2ccccc2)OC1=O
InChIInChI=1S/C15H21NO2/c1-2-3-4-8-11-16-12-14(18-15(16)17)13-9-6-5-7-10-13/h5-7,9-10,14H,2-4,8,11-12H2,1H3
InChIKeyIHDKRABVFBJKJO-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.76
Rot. Bonds6

About 3-hexyl-5-phenyl-1,3-oxazolidin-2-one

3-hexyl-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 45113361) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-hexyl-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-hexyl-5-phenyl-1,3-oxazolidin-2-one
PubChem CID45113361
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-hexyl-5-phenyl-1,3-oxazolidin-2-one
SMILESCCCCCCN1CC(c2ccccc2)OC1=O
InChIInChI=1S/C15H21NO2/c1-2-3-4-8-11-16-12-14(18-15(16)17)13-9-6-5-7-10-13/h5-7,9-10,14H,2-4,8,11-12H2,1H3
InChIKeyIHDKRABVFBJKJO-UHFFFAOYSA-N
XLogP3.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.76
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 3-hexyl-5-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-hexyl-5-phenyl-1,3-oxazolidin-2-one (CID 45113361) is 3-hexyl-5-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-hexyl-5-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-hexyl-5-phenyl-1,3-oxazolidin-2-one is CCCCCCN1CC(c2ccccc2)OC1=O.
What is the InChIKey of 3-hexyl-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is IHDKRABVFBJKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-3-4-8-11-16-12-14(18-15(16)17)13-9-6-5-7-10-13/h5-7,9-10,14H,2-4,8,11-12H2,1H3.
What are the key properties of 3-hexyl-5-phenyl-1,3-oxazolidin-2-one?
3-hexyl-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 247.34 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexyl-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 45113361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).