4,5-dioctyl-1,3-oxazolidin-2-one

C19H37NO2 — CID 57109357

IUPAC4,5-dioctyl-1,3-oxazolidin-2-one
SMILESCCCCCCCCC1NC(=O)OC1CCCCCCCC
InChIInChI=1S/C19H37NO2/c1-3-5-7-9-11-13-15-17-18(22-19(21)20-17)16-14-12-10-8-6-4-2/h17-18H,3-16H2,1-2H3,(H,20,21)
InChIKeyHFUXHCAQGUAEIU-UHFFFAOYSA-N
MW311.51 g/mol
LogP5.96
Rot. Bonds14

About 4,5-dioctyl-1,3-oxazolidin-2-one

4,5-dioctyl-1,3-oxazolidin-2-one (PubChem CID 57109357) has the molecular formula C19H37NO2 and a molecular weight of 311.51 g/mol. Its IUPAC name is 4,5-dioctyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4,5-dioctyl-1,3-oxazolidin-2-one
PubChem CID57109357
Molecular FormulaC19H37NO2
Molecular Weight311.51 g/mol
Exact Mass311.28
IUPAC Name4,5-dioctyl-1,3-oxazolidin-2-one
SMILESCCCCCCCCC1NC(=O)OC1CCCCCCCC
InChIInChI=1S/C19H37NO2/c1-3-5-7-9-11-13-15-17-18(22-19(21)20-17)16-14-12-10-8-6-4-2/h17-18H,3-16H2,1-2H3,(H,20,21)
InChIKeyHFUXHCAQGUAEIU-UHFFFAOYSA-N
XLogP5.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.51
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Decyloxazolidinone
CID 10220190
(4S,5S)-4-methyl-5-undecyl-1,3-oxazolidin-2-one
CID 90683234
4-Butyl-1,3-oxazolidin-2-one
CID 13869396
4-n-Dodecyl-2-oxazolidone
CID 10015248
tert-butyl N-[(2S,3R)-3-hydroxyoctadecan-2-yl]carbamate
CID 10221713
Carbonic acid, monoamide, N-hept-2-yl-, octyl ester
CID 91732804
Carbonic acid, monoamide, N-hept-2-yl-, decyl ester
CID 91736331
4-Hexyl-1,3-oxazolidin-2-one
CID 22057714
(4S,5R)-4-Methyl-5-(n-pentadecyl)-1,3-oxazolidinone
CID 57234797
(4S)-4-butyl-1,3-oxazolidin-2-one
CID 8063313
Ctk0I8889
CID 10986721
(3aS,6S,6aS)-6-tetradecyl-3a,4,6,6a-tetrahydro-3H-furo[3,4-d][1,3]oxazol-2-one
CID 23583987

Frequently Asked Questions

What is the IUPAC name of 4,5-dioctyl-1,3-oxazolidin-2-one?
The IUPAC name of 4,5-dioctyl-1,3-oxazolidin-2-one (CID 57109357) is 4,5-dioctyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4,5-dioctyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4,5-dioctyl-1,3-oxazolidin-2-one is CCCCCCCCC1NC(=O)OC1CCCCCCCC.
What is the InChIKey of 4,5-dioctyl-1,3-oxazolidin-2-one?
The InChIKey is HFUXHCAQGUAEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO2/c1-3-5-7-9-11-13-15-17-18(22-19(21)20-17)16-14-12-10-8-6-4-2/h17-18H,3-16H2,1-2H3,(H,20,21).
What are the key properties of 4,5-dioctyl-1,3-oxazolidin-2-one?
4,5-dioctyl-1,3-oxazolidin-2-one has a molecular weight of 311.51 g/mol, XLogP of 5.96, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dioctyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 57109357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).