3,5-dimethyl-1,3-oxazolidin-2-one

C5H9NO2 — CID 13432443

IUPAC3,5-dimethyl-1,3-oxazolidin-2-one
SMILESCC1CN(C)C(=O)O1
InChIInChI=1S/C5H9NO2/c1-4-3-6(2)5(7)8-4/h4H,3H2,1-2H3
InChIKeyDOBCCCCDMABCIV-UHFFFAOYSA-N
MW115.13 g/mol
LogP0.46
Rot. Bonds

About 3,5-dimethyl-1,3-oxazolidin-2-one

3,5-dimethyl-1,3-oxazolidin-2-one (PubChem CID 13432443) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is 3,5-dimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3,5-dimethyl-1,3-oxazolidin-2-one
PubChem CID13432443
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name3,5-dimethyl-1,3-oxazolidin-2-one
SMILESCC1CN(C)C(=O)O1
InChIInChI=1S/C5H9NO2/c1-4-3-6(2)5(7)8-4/h4H,3H2,1-2H3
InChIKeyDOBCCCCDMABCIV-UHFFFAOYSA-N
XLogP0.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1,3-oxazolidin-2-one?
The IUPAC name of 3,5-dimethyl-1,3-oxazolidin-2-one (CID 13432443) is 3,5-dimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3,5-dimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3,5-dimethyl-1,3-oxazolidin-2-one is CC1CN(C)C(=O)O1.
What is the InChIKey of 3,5-dimethyl-1,3-oxazolidin-2-one?
The InChIKey is DOBCCCCDMABCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-4-3-6(2)5(7)8-4/h4H,3H2,1-2H3.
What are the key properties of 3,5-dimethyl-1,3-oxazolidin-2-one?
3,5-dimethyl-1,3-oxazolidin-2-one has a molecular weight of 115.13 g/mol, XLogP of 0.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 13432443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).