2,4-dimethyl-1,3-oxazolidin-5-one

C5H9NO2 — CID 23529460

IUPAC2,4-dimethyl-1,3-oxazolidin-5-one
SMILESCC1NC(C)C(=O)O1
InChIInChI=1S/C5H9NO2/c1-3-5(7)8-4(2)6-3/h3-4,6H,1-2H3
InChIKeyHZDDDNIUUZWPLN-UHFFFAOYSA-N
MW115.13 g/mol
LogP-0.13
Rot. Bonds

About 2,4-dimethyl-1,3-oxazolidin-5-one

2,4-dimethyl-1,3-oxazolidin-5-one (PubChem CID 23529460) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is 2,4-dimethyl-1,3-oxazolidin-5-one.

Molecular Properties

Compound Name2,4-dimethyl-1,3-oxazolidin-5-one
PubChem CID23529460
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name2,4-dimethyl-1,3-oxazolidin-5-one
SMILESCC1NC(C)C(=O)O1
InChIInChI=1S/C5H9NO2/c1-3-5(7)8-4(2)6-3/h3-4,6H,1-2H3
InChIKeyHZDDDNIUUZWPLN-UHFFFAOYSA-N
XLogP-0.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1,3-oxazolidin-5-one?
The IUPAC name of 2,4-dimethyl-1,3-oxazolidin-5-one (CID 23529460) is 2,4-dimethyl-1,3-oxazolidin-5-one.
What is the SMILES notation for 2,4-dimethyl-1,3-oxazolidin-5-one?
The canonical SMILES for 2,4-dimethyl-1,3-oxazolidin-5-one is CC1NC(C)C(=O)O1.
What is the InChIKey of 2,4-dimethyl-1,3-oxazolidin-5-one?
The InChIKey is HZDDDNIUUZWPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-3-5(7)8-4(2)6-3/h3-4,6H,1-2H3.
What are the key properties of 2,4-dimethyl-1,3-oxazolidin-5-one?
2,4-dimethyl-1,3-oxazolidin-5-one has a molecular weight of 115.13 g/mol, XLogP of -0.13, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1,3-oxazolidin-5-one is sourced from PubChem (CID 23529460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).