5-(2-methylbutan-2-yl)-1,3-oxazolidin-2-one

C8H15NO2 — CID 130949945

IUPAC5-(2-methylbutan-2-yl)-1,3-oxazolidin-2-one
SMILESCCC(C)(C)C1CNC(=O)O1
InChIInChI=1S/C8H15NO2/c1-4-8(2,3)6-5-9-7(10)11-6/h6H,4-5H2,1-3H3,(H,9,10)
InChIKeyXSAAHWSAIWFQTJ-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.53
Rot. Bonds2

About 5-(2-methylbutan-2-yl)-1,3-oxazolidin-2-one

5-(2-methylbutan-2-yl)-1,3-oxazolidin-2-one (PubChem CID 130949945) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 5-(2-methylbutan-2-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(2-methylbutan-2-yl)-1,3-oxazolidin-2-one
PubChem CID130949945
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name5-(2-methylbutan-2-yl)-1,3-oxazolidin-2-one
SMILESCCC(C)(C)C1CNC(=O)O1
InChIInChI=1S/C8H15NO2/c1-4-8(2,3)6-5-9-7(10)11-6/h6H,4-5H2,1-3H3,(H,9,10)
InChIKeyXSAAHWSAIWFQTJ-UHFFFAOYSA-N
XLogP1.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylbutan-2-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(2-methylbutan-2-yl)-1,3-oxazolidin-2-one (CID 130949945) is 5-(2-methylbutan-2-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(2-methylbutan-2-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(2-methylbutan-2-yl)-1,3-oxazolidin-2-one is CCC(C)(C)C1CNC(=O)O1.
What is the InChIKey of 5-(2-methylbutan-2-yl)-1,3-oxazolidin-2-one?
The InChIKey is XSAAHWSAIWFQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-8(2,3)6-5-9-7(10)11-6/h6H,4-5H2,1-3H3,(H,9,10).
What are the key properties of 5-(2-methylbutan-2-yl)-1,3-oxazolidin-2-one?
5-(2-methylbutan-2-yl)-1,3-oxazolidin-2-one has a molecular weight of 157.21 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylbutan-2-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 130949945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).