3-benzyl-5-ethyl-1,3-oxazolidin-2-one

C12H15NO2 — CID 58532625

IUPAC3-benzyl-5-ethyl-1,3-oxazolidin-2-one
SMILESCCC1CN(Cc2ccccc2)C(=O)O1
InChIInChI=1S/C12H15NO2/c1-2-11-9-13(12(14)15-11)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
InChIKeyVBWOJKVGKVWGFP-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.42
Rot. Bonds3

About 3-benzyl-5-ethyl-1,3-oxazolidin-2-one

3-benzyl-5-ethyl-1,3-oxazolidin-2-one (PubChem CID 58532625) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-benzyl-5-ethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-benzyl-5-ethyl-1,3-oxazolidin-2-one
PubChem CID58532625
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name3-benzyl-5-ethyl-1,3-oxazolidin-2-one
SMILESCCC1CN(Cc2ccccc2)C(=O)O1
InChIInChI=1S/C12H15NO2/c1-2-11-9-13(12(14)15-11)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
InChIKeyVBWOJKVGKVWGFP-UHFFFAOYSA-N
XLogP2.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-ethyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-benzyl-5-ethyl-1,3-oxazolidin-2-one (CID 58532625) is 3-benzyl-5-ethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-benzyl-5-ethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-benzyl-5-ethyl-1,3-oxazolidin-2-one is CCC1CN(Cc2ccccc2)C(=O)O1.
What is the InChIKey of 3-benzyl-5-ethyl-1,3-oxazolidin-2-one?
The InChIKey is VBWOJKVGKVWGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-2-11-9-13(12(14)15-11)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3.
What are the key properties of 3-benzyl-5-ethyl-1,3-oxazolidin-2-one?
3-benzyl-5-ethyl-1,3-oxazolidin-2-one has a molecular weight of 205.26 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-ethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 58532625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).