3-[3-(1-hydroxyethyl)-5-methylphenyl]-1,3-oxazolidin-2-one

C12H15NO3 — CID 176710441

IUPAC3-[3-(1-hydroxyethyl)-5-methylphenyl]-1,3-oxazolidin-2-one
SMILESCc1cc(C(C)O)cc(N2CCOC2=O)c1
InChIInChI=1S/C12H15NO3/c1-8-5-10(9(2)14)7-11(6-8)13-3-4-16-12(13)15/h5-7,9,14H,3-4H2,1-2H3
InChIKeyGCKOMLPYNLMYIM-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.00
Rot. Bonds2

About 3-[3-(1-hydroxyethyl)-5-methylphenyl]-1,3-oxazolidin-2-one

3-[3-(1-hydroxyethyl)-5-methylphenyl]-1,3-oxazolidin-2-one (PubChem CID 176710441) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-[3-(1-hydroxyethyl)-5-methylphenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-(1-hydroxyethyl)-5-methylphenyl]-1,3-oxazolidin-2-one
PubChem CID176710441
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name3-[3-(1-hydroxyethyl)-5-methylphenyl]-1,3-oxazolidin-2-one
SMILESCc1cc(C(C)O)cc(N2CCOC2=O)c1
InChIInChI=1S/C12H15NO3/c1-8-5-10(9(2)14)7-11(6-8)13-3-4-16-12(13)15/h5-7,9,14H,3-4H2,1-2H3
InChIKeyGCKOMLPYNLMYIM-UHFFFAOYSA-N
XLogP2.00
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[3-(1-hydroxyethyl)-5-methylphenyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-hydroxyethyl)-5-methylphenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-(1-hydroxyethyl)-5-methylphenyl]-1,3-oxazolidin-2-one (CID 176710441) is 3-[3-(1-hydroxyethyl)-5-methylphenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-(1-hydroxyethyl)-5-methylphenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-(1-hydroxyethyl)-5-methylphenyl]-1,3-oxazolidin-2-one is Cc1cc(C(C)O)cc(N2CCOC2=O)c1.
What is the InChIKey of 3-[3-(1-hydroxyethyl)-5-methylphenyl]-1,3-oxazolidin-2-one?
The InChIKey is GCKOMLPYNLMYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-8-5-10(9(2)14)7-11(6-8)13-3-4-16-12(13)15/h5-7,9,14H,3-4H2,1-2H3.
What are the key properties of 3-[3-(1-hydroxyethyl)-5-methylphenyl]-1,3-oxazolidin-2-one?
3-[3-(1-hydroxyethyl)-5-methylphenyl]-1,3-oxazolidin-2-one has a molecular weight of 221.26 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-hydroxyethyl)-5-methylphenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 176710441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).