1-(1,3-oxazolidin-3-yl)octadec-9-en-1-one

C21H39NO2 — CID 67932029

IUPAC1-(1,3-oxazolidin-3-yl)octadec-9-en-1-one
SMILESCCCCCCCCC=CCCCCCCCC(=O)N1CCOC1
InChIInChI=1S/C21H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)22-18-19-24-20-22/h9-10H,2-8,11-20H2,1H3
InChIKeyKOXFPCXQVJRDHC-UHFFFAOYSA-N
MW337.55 g/mol
LogP5.84
Rot. Bonds15

About 1-(1,3-oxazolidin-3-yl)octadec-9-en-1-one

1-(1,3-oxazolidin-3-yl)octadec-9-en-1-one (PubChem CID 67932029) has the molecular formula C21H39NO2 and a molecular weight of 337.55 g/mol. Its IUPAC name is 1-(1,3-oxazolidin-3-yl)octadec-9-en-1-one.

Molecular Properties

Compound Name1-(1,3-oxazolidin-3-yl)octadec-9-en-1-one
PubChem CID67932029
Molecular FormulaC21H39NO2
Molecular Weight337.55 g/mol
Exact Mass337.30
IUPAC Name1-(1,3-oxazolidin-3-yl)octadec-9-en-1-one
SMILESCCCCCCCCC=CCCCCCCCC(=O)N1CCOC1
InChIInChI=1S/C21H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)22-18-19-24-20-22/h9-10H,2-8,11-20H2,1H3
InChIKeyKOXFPCXQVJRDHC-UHFFFAOYSA-N
XLogP5.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.55
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-oxazolidin-3-yl)octadec-9-en-1-one?
The IUPAC name of 1-(1,3-oxazolidin-3-yl)octadec-9-en-1-one (CID 67932029) is 1-(1,3-oxazolidin-3-yl)octadec-9-en-1-one.
What is the SMILES notation for 1-(1,3-oxazolidin-3-yl)octadec-9-en-1-one?
The canonical SMILES for 1-(1,3-oxazolidin-3-yl)octadec-9-en-1-one is CCCCCCCCC=CCCCCCCCC(=O)N1CCOC1.
What is the InChIKey of 1-(1,3-oxazolidin-3-yl)octadec-9-en-1-one?
The InChIKey is KOXFPCXQVJRDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)22-18-19-24-20-22/h9-10H,2-8,11-20H2,1H3.
What are the key properties of 1-(1,3-oxazolidin-3-yl)octadec-9-en-1-one?
1-(1,3-oxazolidin-3-yl)octadec-9-en-1-one has a molecular weight of 337.55 g/mol, XLogP of 5.84, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-oxazolidin-3-yl)octadec-9-en-1-one is sourced from PubChem (CID 67932029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).