3-acetyl-5-decyl-1,3-oxazolidin-2-one

C15H27NO3 — CID 22163701

IUPAC3-acetyl-5-decyl-1,3-oxazolidin-2-one
SMILESCCCCCCCCCCC1CN(C(C)=O)C(=O)O1
InChIInChI=1S/C15H27NO3/c1-3-4-5-6-7-8-9-10-11-14-12-16(13(2)17)15(18)19-14/h14H,3-12H2,1-2H3
InChIKeyNHOMJPMFYNSWCW-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.88
Rot. Bonds9

About 3-acetyl-5-decyl-1,3-oxazolidin-2-one

3-acetyl-5-decyl-1,3-oxazolidin-2-one (PubChem CID 22163701) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 3-acetyl-5-decyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-acetyl-5-decyl-1,3-oxazolidin-2-one
PubChem CID22163701
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name3-acetyl-5-decyl-1,3-oxazolidin-2-one
SMILESCCCCCCCCCCC1CN(C(C)=O)C(=O)O1
InChIInChI=1S/C15H27NO3/c1-3-4-5-6-7-8-9-10-11-14-12-16(13(2)17)15(18)19-14/h14H,3-12H2,1-2H3
InChIKeyNHOMJPMFYNSWCW-UHFFFAOYSA-N
XLogP3.88
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-acetyl-5-decyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-acetyl-5-decyl-1,3-oxazolidin-2-one (CID 22163701) is 3-acetyl-5-decyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-acetyl-5-decyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-acetyl-5-decyl-1,3-oxazolidin-2-one is CCCCCCCCCCC1CN(C(C)=O)C(=O)O1.
What is the InChIKey of 3-acetyl-5-decyl-1,3-oxazolidin-2-one?
The InChIKey is NHOMJPMFYNSWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-3-4-5-6-7-8-9-10-11-14-12-16(13(2)17)15(18)19-14/h14H,3-12H2,1-2H3.
What are the key properties of 3-acetyl-5-decyl-1,3-oxazolidin-2-one?
3-acetyl-5-decyl-1,3-oxazolidin-2-one has a molecular weight of 269.38 g/mol, XLogP of 3.88, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-5-decyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 22163701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).