3-methyl-4-pentyl-5-propyl-1,3-oxazolidin-2-one

C12H23NO2 — CID 138501046

IUPAC3-methyl-4-pentyl-5-propyl-1,3-oxazolidin-2-one
SMILESCCCCCC1C(CCC)OC(=O)N1C
InChIInChI=1S/C12H23NO2/c1-4-6-7-9-10-11(8-5-2)15-12(14)13(10)3/h10-11H,4-9H2,1-3H3
InChIKeyUEFJYYVULRESNX-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.19
Rot. Bonds6

About 3-methyl-4-pentyl-5-propyl-1,3-oxazolidin-2-one

3-methyl-4-pentyl-5-propyl-1,3-oxazolidin-2-one (PubChem CID 138501046) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-methyl-4-pentyl-5-propyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-methyl-4-pentyl-5-propyl-1,3-oxazolidin-2-one
PubChem CID138501046
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name3-methyl-4-pentyl-5-propyl-1,3-oxazolidin-2-one
SMILESCCCCCC1C(CCC)OC(=O)N1C
InChIInChI=1S/C12H23NO2/c1-4-6-7-9-10-11(8-5-2)15-12(14)13(10)3/h10-11H,4-9H2,1-3H3
InChIKeyUEFJYYVULRESNX-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-methyl-4-pentyl-5-propyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-methyl-4-pentyl-5-propyl-1,3-oxazolidin-2-one (CID 138501046) is 3-methyl-4-pentyl-5-propyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-methyl-4-pentyl-5-propyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-methyl-4-pentyl-5-propyl-1,3-oxazolidin-2-one is CCCCCC1C(CCC)OC(=O)N1C.
What is the InChIKey of 3-methyl-4-pentyl-5-propyl-1,3-oxazolidin-2-one?
The InChIKey is UEFJYYVULRESNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-6-7-9-10-11(8-5-2)15-12(14)13(10)3/h10-11H,4-9H2,1-3H3.
What are the key properties of 3-methyl-4-pentyl-5-propyl-1,3-oxazolidin-2-one?
3-methyl-4-pentyl-5-propyl-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-methyl-4-pentyl-5-propyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 138501046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).