3,5-dihexyl-1,3-oxazolidin-2-one

C15H29NO2 — CID 139397469

IUPAC3,5-dihexyl-1,3-oxazolidin-2-one
SMILESCCCCCCC1CN(CCCCCC)C(=O)O1
InChIInChI=1S/C15H29NO2/c1-3-5-7-9-11-14-13-16(15(17)18-14)12-10-8-6-4-2/h14H,3-13H2,1-2H3
InChIKeyAVWRCSVWYJHMBV-UHFFFAOYSA-N
MW255.40 g/mol
LogP4.36
Rot. Bonds10

About 3,5-dihexyl-1,3-oxazolidin-2-one

3,5-dihexyl-1,3-oxazolidin-2-one (PubChem CID 139397469) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 3,5-dihexyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3,5-dihexyl-1,3-oxazolidin-2-one
PubChem CID139397469
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name3,5-dihexyl-1,3-oxazolidin-2-one
SMILESCCCCCCC1CN(CCCCCC)C(=O)O1
InChIInChI=1S/C15H29NO2/c1-3-5-7-9-11-14-13-16(15(17)18-14)12-10-8-6-4-2/h14H,3-13H2,1-2H3
InChIKeyAVWRCSVWYJHMBV-UHFFFAOYSA-N
XLogP4.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 54.36
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 3,5-dihexyl-1,3-oxazolidin-2-one?
The IUPAC name of 3,5-dihexyl-1,3-oxazolidin-2-one (CID 139397469) is 3,5-dihexyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3,5-dihexyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3,5-dihexyl-1,3-oxazolidin-2-one is CCCCCCC1CN(CCCCCC)C(=O)O1.
What is the InChIKey of 3,5-dihexyl-1,3-oxazolidin-2-one?
The InChIKey is AVWRCSVWYJHMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-3-5-7-9-11-14-13-16(15(17)18-14)12-10-8-6-4-2/h14H,3-13H2,1-2H3.
What are the key properties of 3,5-dihexyl-1,3-oxazolidin-2-one?
3,5-dihexyl-1,3-oxazolidin-2-one has a molecular weight of 255.40 g/mol, XLogP of 4.36, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihexyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 139397469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).