5-(2-hydroxyphenyl)-3-(2-methylpropyl)-1,3-oxazolidin-2-one

C13H17NO3 — CID 83896552

IUPAC5-(2-hydroxyphenyl)-3-(2-methylpropyl)-1,3-oxazolidin-2-one
SMILESCC(C)CN1CC(c2ccccc2O)OC1=O
InChIInChI=1S/C13H17NO3/c1-9(2)7-14-8-12(17-13(14)16)10-5-3-4-6-11(10)15/h3-6,9,12,15H,7-8H2,1-2H3
InChIKeyLFGZOGLOWIOMEP-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.54
Rot. Bonds3

About 5-(2-hydroxyphenyl)-3-(2-methylpropyl)-1,3-oxazolidin-2-one

5-(2-hydroxyphenyl)-3-(2-methylpropyl)-1,3-oxazolidin-2-one (PubChem CID 83896552) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 5-(2-hydroxyphenyl)-3-(2-methylpropyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(2-hydroxyphenyl)-3-(2-methylpropyl)-1,3-oxazolidin-2-one
PubChem CID83896552
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name5-(2-hydroxyphenyl)-3-(2-methylpropyl)-1,3-oxazolidin-2-one
SMILESCC(C)CN1CC(c2ccccc2O)OC1=O
InChIInChI=1S/C13H17NO3/c1-9(2)7-14-8-12(17-13(14)16)10-5-3-4-6-11(10)15/h3-6,9,12,15H,7-8H2,1-2H3
InChIKeyLFGZOGLOWIOMEP-UHFFFAOYSA-N
XLogP2.54
TPSA49.77 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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyphenyl)-3-(2-methylpropyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(2-hydroxyphenyl)-3-(2-methylpropyl)-1,3-oxazolidin-2-one (CID 83896552) is 5-(2-hydroxyphenyl)-3-(2-methylpropyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(2-hydroxyphenyl)-3-(2-methylpropyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(2-hydroxyphenyl)-3-(2-methylpropyl)-1,3-oxazolidin-2-one is CC(C)CN1CC(c2ccccc2O)OC1=O.
What is the InChIKey of 5-(2-hydroxyphenyl)-3-(2-methylpropyl)-1,3-oxazolidin-2-one?
The InChIKey is LFGZOGLOWIOMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-9(2)7-14-8-12(17-13(14)16)10-5-3-4-6-11(10)15/h3-6,9,12,15H,7-8H2,1-2H3.
What are the key properties of 5-(2-hydroxyphenyl)-3-(2-methylpropyl)-1,3-oxazolidin-2-one?
5-(2-hydroxyphenyl)-3-(2-methylpropyl)-1,3-oxazolidin-2-one has a molecular weight of 235.28 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyphenyl)-3-(2-methylpropyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 83896552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).