5-decyl-3-methyl-1,3-oxazolidin-2-one

C14H27NO2 — CID 12663135

IUPAC5-decyl-3-methyl-1,3-oxazolidin-2-one
SMILESCCCCCCCCCCC1CN(C)C(=O)O1
InChIInChI=1S/C14H27NO2/c1-3-4-5-6-7-8-9-10-11-13-12-15(2)14(16)17-13/h13H,3-12H2,1-2H3
InChIKeyPJQIXRUCWKZXEQ-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.97
Rot. Bonds9

About 5-decyl-3-methyl-1,3-oxazolidin-2-one

5-decyl-3-methyl-1,3-oxazolidin-2-one (PubChem CID 12663135) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 5-decyl-3-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-decyl-3-methyl-1,3-oxazolidin-2-one
PubChem CID12663135
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name5-decyl-3-methyl-1,3-oxazolidin-2-one
SMILESCCCCCCCCCCC1CN(C)C(=O)O1
InChIInChI=1S/C14H27NO2/c1-3-4-5-6-7-8-9-10-11-13-12-15(2)14(16)17-13/h13H,3-12H2,1-2H3
InChIKeyPJQIXRUCWKZXEQ-UHFFFAOYSA-N
XLogP3.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.97
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-decyl-3-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-decyl-3-methyl-1,3-oxazolidin-2-one (CID 12663135) is 5-decyl-3-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-decyl-3-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-decyl-3-methyl-1,3-oxazolidin-2-one is CCCCCCCCCCC1CN(C)C(=O)O1.
What is the InChIKey of 5-decyl-3-methyl-1,3-oxazolidin-2-one?
The InChIKey is PJQIXRUCWKZXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-3-4-5-6-7-8-9-10-11-13-12-15(2)14(16)17-13/h13H,3-12H2,1-2H3.
What are the key properties of 5-decyl-3-methyl-1,3-oxazolidin-2-one?
5-decyl-3-methyl-1,3-oxazolidin-2-one has a molecular weight of 241.37 g/mol, XLogP of 3.97, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-decyl-3-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 12663135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).