2-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-1,2-oxazolidin-3-one

C13H17NO3 — CID 117342188

IUPAC2-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-1,2-oxazolidin-3-one
SMILESCC(C)(CO)c1ccc(N2OCCC2=O)cc1
InChIInChI=1S/C13H17NO3/c1-13(2,9-15)10-3-5-11(6-4-10)14-12(16)7-8-17-14/h3-6,15H,7-9H2,1-2H3
InChIKeyZPSHRODKFTVSSR-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.62
Rot. Bonds3

About 2-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-1,2-oxazolidin-3-one

2-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-1,2-oxazolidin-3-one (PubChem CID 117342188) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name2-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-1,2-oxazolidin-3-one
PubChem CID117342188
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-1,2-oxazolidin-3-one
SMILESCC(C)(CO)c1ccc(N2OCCC2=O)cc1
InChIInChI=1S/C13H17NO3/c1-13(2,9-15)10-3-5-11(6-4-10)14-12(16)7-8-17-14/h3-6,15H,7-9H2,1-2H3
InChIKeyZPSHRODKFTVSSR-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-1,2-oxazolidin-3-one?
The IUPAC name of 2-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-1,2-oxazolidin-3-one (CID 117342188) is 2-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-1,2-oxazolidin-3-one.
What is the SMILES notation for 2-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-1,2-oxazolidin-3-one?
The canonical SMILES for 2-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-1,2-oxazolidin-3-one is CC(C)(CO)c1ccc(N2OCCC2=O)cc1.
What is the InChIKey of 2-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-1,2-oxazolidin-3-one?
The InChIKey is ZPSHRODKFTVSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-13(2,9-15)10-3-5-11(6-4-10)14-12(16)7-8-17-14/h3-6,15H,7-9H2,1-2H3.
What are the key properties of 2-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-1,2-oxazolidin-3-one?
2-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-1,2-oxazolidin-3-one has a molecular weight of 235.28 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-1,2-oxazolidin-3-one is sourced from PubChem (CID 117342188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).