3-octadecyl-1,3-oxazolidin-2-one

C21H41NO2 — CID 59720965

IUPAC3-octadecyl-1,3-oxazolidin-2-one
SMILESCCCCCCCCCCCCCCCCCCN1CCOC1=O
InChIInChI=1S/C21H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19-20-24-21(22)23/h2-20H2,1H3
InChIKeyZVPNBBZNWVMWED-UHFFFAOYSA-N
MW339.56 g/mol
LogP6.70
Rot. Bonds17

About 3-octadecyl-1,3-oxazolidin-2-one

3-octadecyl-1,3-oxazolidin-2-one (PubChem CID 59720965) has the molecular formula C21H41NO2 and a molecular weight of 339.56 g/mol. Its IUPAC name is 3-octadecyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-octadecyl-1,3-oxazolidin-2-one
PubChem CID59720965
Molecular FormulaC21H41NO2
Molecular Weight339.56 g/mol
Exact Mass339.31
IUPAC Name3-octadecyl-1,3-oxazolidin-2-one
SMILESCCCCCCCCCCCCCCCCCCN1CCOC1=O
InChIInChI=1S/C21H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19-20-24-21(22)23/h2-20H2,1H3
InChIKeyZVPNBBZNWVMWED-UHFFFAOYSA-N
XLogP6.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.56
LogP ≤ 56.70
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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Related Compounds

3-octyl-1,3-oxazolidin-2-one
CID 3565999
3-[(Z)-tetradec-9-enyl]-1,3-oxazolidin-2-one
CID 70290547
3-(10,10-dimethylundecyl)-1,3-oxazolidin-2-one
CID 151323535
1-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-3-propylurea
CID 110747891
3-[3-(methylamino)propyl]-1,3-oxazolidin-2-one
CID 61350941
4-decylmorpholin-3-one
CID 154372852
1,3-dioctylimidazolidin-2-one
CID 19987667
3-(2-ethylsulfanylethyl)-1,3-oxazolidin-2-one
CID 130297937
3-[4-(methylamino)hexyl]-1,3-oxazolidin-2-one
CID 106800266
3-(2-iodoethyl)-1,3-oxazolidin-2-one
CID 575068
3-(2-bromoethyl)-1,3-oxazolidin-2-one
CID 22757234
7,10-dihexyl-1,4-dioxa-7,10-diazacyclododecane-6,11-dione
CID 541282

Frequently Asked Questions

What is the IUPAC name of 3-octadecyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-octadecyl-1,3-oxazolidin-2-one (CID 59720965) is 3-octadecyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-octadecyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-octadecyl-1,3-oxazolidin-2-one is CCCCCCCCCCCCCCCCCCN1CCOC1=O.
What is the InChIKey of 3-octadecyl-1,3-oxazolidin-2-one?
The InChIKey is ZVPNBBZNWVMWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19-20-24-21(22)23/h2-20H2,1H3.
What are the key properties of 3-octadecyl-1,3-oxazolidin-2-one?
3-octadecyl-1,3-oxazolidin-2-one has a molecular weight of 339.56 g/mol, XLogP of 6.70, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-octadecyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 59720965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).