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

C23H43NO2 — CID 134914975

IUPAC3-cyclohexyl-5-tetradecyl-1,3-oxazolidin-2-one
SMILESCCCCCCCCCCCCCCC1CN(C2CCCCC2)C(=O)O1
InChIInChI=1S/C23H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-22-20-24(23(25)26-22)21-17-14-13-15-18-21/h21-22H,2-20H2,1H3
InChIKeyLJEWLMQNRIQEMA-UHFFFAOYSA-N
MW365.60 g/mol
LogP7.23
Rot. Bonds14

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

3-cyclohexyl-5-tetradecyl-1,3-oxazolidin-2-one (PubChem CID 134914975) has the molecular formula C23H43NO2 and a molecular weight of 365.60 g/mol. Its IUPAC name is 3-cyclohexyl-5-tetradecyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-cyclohexyl-5-tetradecyl-1,3-oxazolidin-2-one
PubChem CID134914975
Molecular FormulaC23H43NO2
Molecular Weight365.60 g/mol
Exact Mass365.33
IUPAC Name3-cyclohexyl-5-tetradecyl-1,3-oxazolidin-2-one
SMILESCCCCCCCCCCCCCCC1CN(C2CCCCC2)C(=O)O1
InChIInChI=1S/C23H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-22-20-24(23(25)26-22)21-17-14-13-15-18-21/h21-22H,2-20H2,1H3
InChIKeyLJEWLMQNRIQEMA-UHFFFAOYSA-N
XLogP7.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.60
LogP ≤ 57.23
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-cyclohexyl-5-tetradecyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-cyclohexyl-5-tetradecyl-1,3-oxazolidin-2-one (CID 134914975) is 3-cyclohexyl-5-tetradecyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-cyclohexyl-5-tetradecyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-cyclohexyl-5-tetradecyl-1,3-oxazolidin-2-one is CCCCCCCCCCCCCCC1CN(C2CCCCC2)C(=O)O1.
What is the InChIKey of 3-cyclohexyl-5-tetradecyl-1,3-oxazolidin-2-one?
The InChIKey is LJEWLMQNRIQEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-22-20-24(23(25)26-22)21-17-14-13-15-18-21/h21-22H,2-20H2,1H3.
What are the key properties of 3-cyclohexyl-5-tetradecyl-1,3-oxazolidin-2-one?
3-cyclohexyl-5-tetradecyl-1,3-oxazolidin-2-one has a molecular weight of 365.60 g/mol, XLogP of 7.23, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-tetradecyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 134914975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).