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

C13H17NO3 — CID 21496496

IUPAC5-[(2,3,5-trimethylphenoxy)methyl]-1,3-oxazolidin-2-one
SMILESCc1cc(C)c(C)c(OCC2CNC(=O)O2)c1
InChIInChI=1S/C13H17NO3/c1-8-4-9(2)10(3)12(5-8)16-7-11-6-14-13(15)17-11/h4-5,11H,6-7H2,1-3H3,(H,14,15)
InChIKeyPYGVTWOWFALXCC-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.10
Rot. Bonds3

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

5-[(2,3,5-trimethylphenoxy)methyl]-1,3-oxazolidin-2-one (PubChem CID 21496496) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 5-[(2,3,5-trimethylphenoxy)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(2,3,5-trimethylphenoxy)methyl]-1,3-oxazolidin-2-one
PubChem CID21496496
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name5-[(2,3,5-trimethylphenoxy)methyl]-1,3-oxazolidin-2-one
SMILESCc1cc(C)c(C)c(OCC2CNC(=O)O2)c1
InChIInChI=1S/C13H17NO3/c1-8-4-9(2)10(3)12(5-8)16-7-11-6-14-13(15)17-11/h4-5,11H,6-7H2,1-3H3,(H,14,15)
InChIKeyPYGVTWOWFALXCC-UHFFFAOYSA-N
XLogP2.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,3,5-trimethylphenoxy)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(2,3,5-trimethylphenoxy)methyl]-1,3-oxazolidin-2-one (CID 21496496) is 5-[(2,3,5-trimethylphenoxy)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(2,3,5-trimethylphenoxy)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(2,3,5-trimethylphenoxy)methyl]-1,3-oxazolidin-2-one is Cc1cc(C)c(C)c(OCC2CNC(=O)O2)c1.
What is the InChIKey of 5-[(2,3,5-trimethylphenoxy)methyl]-1,3-oxazolidin-2-one?
The InChIKey is PYGVTWOWFALXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-8-4-9(2)10(3)12(5-8)16-7-11-6-14-13(15)17-11/h4-5,11H,6-7H2,1-3H3,(H,14,15).
What are the key properties of 5-[(2,3,5-trimethylphenoxy)methyl]-1,3-oxazolidin-2-one?
5-[(2,3,5-trimethylphenoxy)methyl]-1,3-oxazolidin-2-one has a molecular weight of 235.28 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3,5-trimethylphenoxy)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 21496496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).