4-propan-2-yl-1,3-oxazolidin-2-one

C6H11NO2 — CID 519353

IUPAC4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)C1COC(=O)N1
InChIInChI=1S/C6H11NO2/c1-4(2)5-3-9-6(8)7-5/h4-5H,3H2,1-2H3,(H,7,8)
InChIKeyYBUPWRYTXGAWJX-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.75
Rot. Bonds1

About 4-propan-2-yl-1,3-oxazolidin-2-one

4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 519353) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID519353
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)C1COC(=O)N1
InChIInChI=1S/C6H11NO2/c1-4(2)5-3-9-6(8)7-5/h4-5H,3H2,1-2H3,(H,7,8)
InChIKeyYBUPWRYTXGAWJX-UHFFFAOYSA-N
XLogP0.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 4-propan-2-yl-1,3-oxazolidin-2-one (CID 519353) is 4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)C1COC(=O)N1.
What is the InChIKey of 4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is YBUPWRYTXGAWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-4(2)5-3-9-6(8)7-5/h4-5H,3H2,1-2H3,(H,7,8).
What are the key properties of 4-propan-2-yl-1,3-oxazolidin-2-one?
4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 129.16 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 519353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).