5-(hydroxymethyl)-3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one

C13H17NO3 — CID 15591325

IUPAC5-(hydroxymethyl)-3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one
SMILESCC(C)c1ccc(N2CC(CO)OC2=O)cc1
InChIInChI=1S/C13H17NO3/c1-9(2)10-3-5-11(6-4-10)14-7-12(8-15)17-13(14)16/h3-6,9,12,15H,7-8H2,1-2H3
InChIKeySGFYGQKZADTNPG-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.13
Rot. Bonds3

About 5-(hydroxymethyl)-3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one

5-(hydroxymethyl)-3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one (PubChem CID 15591325) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 5-(hydroxymethyl)-3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one
PubChem CID15591325
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name5-(hydroxymethyl)-3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one
SMILESCC(C)c1ccc(N2CC(CO)OC2=O)cc1
InChIInChI=1S/C13H17NO3/c1-9(2)10-3-5-11(6-4-10)14-7-12(8-15)17-13(14)16/h3-6,9,12,15H,7-8H2,1-2H3
InChIKeySGFYGQKZADTNPG-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(hydroxymethyl)-3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one (CID 15591325) is 5-(hydroxymethyl)-3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(hydroxymethyl)-3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(hydroxymethyl)-3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one is CC(C)c1ccc(N2CC(CO)OC2=O)cc1.
What is the InChIKey of 5-(hydroxymethyl)-3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is SGFYGQKZADTNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-9(2)10-3-5-11(6-4-10)14-7-12(8-15)17-13(14)16/h3-6,9,12,15H,7-8H2,1-2H3.
What are the key properties of 5-(hydroxymethyl)-3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one?
5-(hydroxymethyl)-3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 235.28 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 15591325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).