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

C14H19NO2 — CID 46887272

IUPAC5-pentyl-3-phenyl-1,3-oxazolidin-2-one
SMILESCCCCCC1CN(c2ccccc2)C(=O)O1
InChIInChI=1S/C14H19NO2/c1-2-3-5-10-13-11-15(14(16)17-13)12-8-6-4-7-9-12/h4,6-9,13H,2-3,5,10-11H2,1H3
InChIKeyHWIYPLZVPBTTOH-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.59
Rot. Bonds5

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

5-pentyl-3-phenyl-1,3-oxazolidin-2-one (PubChem CID 46887272) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 5-pentyl-3-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-pentyl-3-phenyl-1,3-oxazolidin-2-one
PubChem CID46887272
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name5-pentyl-3-phenyl-1,3-oxazolidin-2-one
SMILESCCCCCC1CN(c2ccccc2)C(=O)O1
InChIInChI=1S/C14H19NO2/c1-2-3-5-10-13-11-15(14(16)17-13)12-8-6-4-7-9-12/h4,6-9,13H,2-3,5,10-11H2,1H3
InChIKeyHWIYPLZVPBTTOH-UHFFFAOYSA-N
XLogP3.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.59
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 5-pentyl-3-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-pentyl-3-phenyl-1,3-oxazolidin-2-one (CID 46887272) is 5-pentyl-3-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-pentyl-3-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-pentyl-3-phenyl-1,3-oxazolidin-2-one is CCCCCC1CN(c2ccccc2)C(=O)O1.
What is the InChIKey of 5-pentyl-3-phenyl-1,3-oxazolidin-2-one?
The InChIKey is HWIYPLZVPBTTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-3-5-10-13-11-15(14(16)17-13)12-8-6-4-7-9-12/h4,6-9,13H,2-3,5,10-11H2,1H3.
What are the key properties of 5-pentyl-3-phenyl-1,3-oxazolidin-2-one?
5-pentyl-3-phenyl-1,3-oxazolidin-2-one has a molecular weight of 233.31 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentyl-3-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 46887272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).