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

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Related Compounds

5-Hexyl-3-m-tolyloxazolidin-2-one
CID 44155420
(5R)-3-[4-(2-hydroxyethyl)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 44280829
tert-Butyl 5-(hydroxymethyl)indoline-1-carboxylate
CID 10753138
1-t-Butoxycarbonyl-6-hydroxymethyl-2,3-dihydroindole
CID 10753139
2-Oxazolidinone, 3,5-diphenyl-
CID 568810
5-[[4-(4-Fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one
CID 14368963
5-[[4-Hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one
CID 14368972
3-[3,5-Bis(trifluoromethyl)phenyl]-5-hexyl-1,3-oxazolidin-2-one
CID 44155641
(5S)-5-ethyl-3-[3-fluoro-4-[4-(hydroxymethyl)phenyl]phenyl]-1,3-oxazolidin-2-one
CID 58045489
Ethyl-[2-fluoro-3-(hydroxymethyl)phenyl]carbamic acid
CID 67280741
5-[2-[4-Hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one
CID 67940457
5-[2-[4-(4-Fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one
CID 67940465

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).