3-propyl-5-tetradecyl-1,3-oxazolidin-2-one

C20H39NO2 — CID 134915171

IUPAC3-propyl-5-tetradecyl-1,3-oxazolidin-2-one
SMILESCCCCCCCCCCCCCCC1CN(CCC)C(=O)O1
InChIInChI=1S/C20H39NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-18-21(17-4-2)20(22)23-19/h19H,3-18H2,1-2H3
InChIKeyMCPITXQZZSKQEK-UHFFFAOYSA-N
MW325.54 g/mol
LogP6.31
Rot. Bonds15

About 3-propyl-5-tetradecyl-1,3-oxazolidin-2-one

3-propyl-5-tetradecyl-1,3-oxazolidin-2-one (PubChem CID 134915171) has the molecular formula C20H39NO2 and a molecular weight of 325.54 g/mol. Its IUPAC name is 3-propyl-5-tetradecyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-propyl-5-tetradecyl-1,3-oxazolidin-2-one
PubChem CID134915171
Molecular FormulaC20H39NO2
Molecular Weight325.54 g/mol
Exact Mass325.30
IUPAC Name3-propyl-5-tetradecyl-1,3-oxazolidin-2-one
SMILESCCCCCCCCCCCCCCC1CN(CCC)C(=O)O1
InChIInChI=1S/C20H39NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-18-21(17-4-2)20(22)23-19/h19H,3-18H2,1-2H3
InChIKeyMCPITXQZZSKQEK-UHFFFAOYSA-N
XLogP6.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.54
LogP ≤ 56.31
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-propyl-5-tetradecyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-propyl-5-tetradecyl-1,3-oxazolidin-2-one (CID 134915171) is 3-propyl-5-tetradecyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-propyl-5-tetradecyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-propyl-5-tetradecyl-1,3-oxazolidin-2-one is CCCCCCCCCCCCCCC1CN(CCC)C(=O)O1.
What is the InChIKey of 3-propyl-5-tetradecyl-1,3-oxazolidin-2-one?
The InChIKey is MCPITXQZZSKQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-18-21(17-4-2)20(22)23-19/h19H,3-18H2,1-2H3.
What are the key properties of 3-propyl-5-tetradecyl-1,3-oxazolidin-2-one?
3-propyl-5-tetradecyl-1,3-oxazolidin-2-one has a molecular weight of 325.54 g/mol, XLogP of 6.31, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-5-tetradecyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 134915171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).