5-[(2,6-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one

C12H15NO3 — CID 2884305

IUPAC5-[(2,6-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one
SMILESCc1cccc(C)c1OCC1CNC(=O)O1
InChIInChI=1S/C12H15NO3/c1-8-4-3-5-9(2)11(8)15-7-10-6-13-12(14)16-10/h3-5,10H,6-7H2,1-2H3,(H,13,14)
InChIKeyKEDKHCGOOYEMOY-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.79
Rot. Bonds3

About 5-[(2,6-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one

5-[(2,6-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one (PubChem CID 2884305) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 5-[(2,6-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(2,6-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one
PubChem CID2884305
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name5-[(2,6-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one
SMILESCc1cccc(C)c1OCC1CNC(=O)O1
InChIInChI=1S/C12H15NO3/c1-8-4-3-5-9(2)11(8)15-7-10-6-13-12(14)16-10/h3-5,10H,6-7H2,1-2H3,(H,13,14)
InChIKeyKEDKHCGOOYEMOY-UHFFFAOYSA-N
XLogP1.79
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(2,6-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one (CID 2884305) is 5-[(2,6-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(2,6-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(2,6-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one is Cc1cccc(C)c1OCC1CNC(=O)O1.
What is the InChIKey of 5-[(2,6-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one?
The InChIKey is KEDKHCGOOYEMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-8-4-3-5-9(2)11(8)15-7-10-6-13-12(14)16-10/h3-5,10H,6-7H2,1-2H3,(H,13,14).
What are the key properties of 5-[(2,6-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one?
5-[(2,6-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one has a molecular weight of 221.26 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 2884305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).