3,4-diethyl-5-pentyl-1,3-oxazolidin-2-one

C12H23NO2 — CID 137410350

IUPAC3,4-diethyl-5-pentyl-1,3-oxazolidin-2-one
SMILESCCCCCC1OC(=O)N(CC)C1CC
InChIInChI=1S/C12H23NO2/c1-4-7-8-9-11-10(5-2)13(6-3)12(14)15-11/h10-11H,4-9H2,1-3H3
InChIKeyQCRONXSVQDUFOK-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.19
Rot. Bonds6

About 3,4-diethyl-5-pentyl-1,3-oxazolidin-2-one

3,4-diethyl-5-pentyl-1,3-oxazolidin-2-one (PubChem CID 137410350) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 3,4-diethyl-5-pentyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3,4-diethyl-5-pentyl-1,3-oxazolidin-2-one
PubChem CID137410350
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name3,4-diethyl-5-pentyl-1,3-oxazolidin-2-one
SMILESCCCCCC1OC(=O)N(CC)C1CC
InChIInChI=1S/C12H23NO2/c1-4-7-8-9-11-10(5-2)13(6-3)12(14)15-11/h10-11H,4-9H2,1-3H3
InChIKeyQCRONXSVQDUFOK-UHFFFAOYSA-N
XLogP3.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.19
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 3,4-diethyl-5-pentyl-1,3-oxazolidin-2-one?
The IUPAC name of 3,4-diethyl-5-pentyl-1,3-oxazolidin-2-one (CID 137410350) is 3,4-diethyl-5-pentyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3,4-diethyl-5-pentyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3,4-diethyl-5-pentyl-1,3-oxazolidin-2-one is CCCCCC1OC(=O)N(CC)C1CC.
What is the InChIKey of 3,4-diethyl-5-pentyl-1,3-oxazolidin-2-one?
The InChIKey is QCRONXSVQDUFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-7-8-9-11-10(5-2)13(6-3)12(14)15-11/h10-11H,4-9H2,1-3H3.
What are the key properties of 3,4-diethyl-5-pentyl-1,3-oxazolidin-2-one?
3,4-diethyl-5-pentyl-1,3-oxazolidin-2-one has a molecular weight of 213.32 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-5-pentyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 137410350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).