3-butyl-5-methyl-1,3-oxazolidin-2-one

C8H15NO2 — CID 13432449

IUPAC3-butyl-5-methyl-1,3-oxazolidin-2-one
SMILESCCCCN1CC(C)OC1=O
InChIInChI=1S/C8H15NO2/c1-3-4-5-9-6-7(2)11-8(9)10/h7H,3-6H2,1-2H3
InChIKeyALFZPKIMWLCWOM-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.63
Rot. Bonds3

About 3-butyl-5-methyl-1,3-oxazolidin-2-one

3-butyl-5-methyl-1,3-oxazolidin-2-one (PubChem CID 13432449) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 3-butyl-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-butyl-5-methyl-1,3-oxazolidin-2-one
PubChem CID13432449
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name3-butyl-5-methyl-1,3-oxazolidin-2-one
SMILESCCCCN1CC(C)OC1=O
InChIInChI=1S/C8H15NO2/c1-3-4-5-9-6-7(2)11-8(9)10/h7H,3-6H2,1-2H3
InChIKeyALFZPKIMWLCWOM-UHFFFAOYSA-N
XLogP1.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-butyl-5-methyl-1,3-oxazolidin-2-one (CID 13432449) is 3-butyl-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-butyl-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-butyl-5-methyl-1,3-oxazolidin-2-one is CCCCN1CC(C)OC1=O.
What is the InChIKey of 3-butyl-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is ALFZPKIMWLCWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-4-5-9-6-7(2)11-8(9)10/h7H,3-6H2,1-2H3.
What are the key properties of 3-butyl-5-methyl-1,3-oxazolidin-2-one?
3-butyl-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 157.21 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 13432449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).