3-ethyl-5-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one

C7H13NO3 — CID 115064735

IUPAC3-ethyl-5-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one
SMILESCCN1CC(C)(CO)OC1=O
InChIInChI=1S/C7H13NO3/c1-3-8-4-7(2,5-9)11-6(8)10/h9H,3-5H2,1-2H3
InChIKeyXMYGTLUZECMEQX-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.21
Rot. Bonds2

About 3-ethyl-5-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one

3-ethyl-5-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one (PubChem CID 115064735) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 3-ethyl-5-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-ethyl-5-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one
PubChem CID115064735
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name3-ethyl-5-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one
SMILESCCN1CC(C)(CO)OC1=O
InChIInChI=1S/C7H13NO3/c1-3-8-4-7(2,5-9)11-6(8)10/h9H,3-5H2,1-2H3
InChIKeyXMYGTLUZECMEQX-UHFFFAOYSA-N
XLogP0.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-diethyl-5-methyl-1,3-oxazolidin-2-one
CID 22000696
3-(3-ethyl-5-methyl-2-oxo-1,3-oxazolidin-5-yl)propanoic acid
CID 115065359
5-(hydroxymethyl)-3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one
CID 115064763
5-(hydroxymethyl)-5-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
CID 115064757
7-ethyl-2,5-dioxa-7-azaspiro[3.4]octan-6-one
CID 146246264
5-(hydroxymethyl)-5-methyl-3-phenyl-1,3-oxazolidin-2-one
CID 115064715
5-(2-hydroxyethyl)-5-methyl-3-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 115064821
6-(hydroxymethyl)-6-methyl-4-(2-methylpropyl)morpholin-3-one
CID 115067596
3-ethyl-5-methyl-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one
CID 115065098
3-ethyl-4-(2-hydroxyethyl)-4-methyl-1,3-oxazolidin-2-one
CID 115064056
3-ethyl-6-ethynyl-5,5-dimethyl-1,3-oxazinan-2-one
CID 121207292
(6S)-6-(hydroxymethyl)-6-methyloxan-2-one
CID 14165937

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-ethyl-5-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one (CID 115064735) is 3-ethyl-5-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-ethyl-5-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-ethyl-5-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one is CCN1CC(C)(CO)OC1=O.
What is the InChIKey of 3-ethyl-5-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is XMYGTLUZECMEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-3-8-4-7(2,5-9)11-6(8)10/h9H,3-5H2,1-2H3.
What are the key properties of 3-ethyl-5-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one?
3-ethyl-5-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 159.18 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 115064735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).