4-benzyl-5-hydroxy-3-methyl-1,3,4-oxadiazolidin-2-one

C10H12N2O3 — CID 86643537

IUPAC4-benzyl-5-hydroxy-3-methyl-1,3,4-oxadiazolidin-2-one
SMILESCN1C(=O)OC(O)N1Cc1ccccc1
InChIInChI=1S/C10H12N2O3/c1-11-9(13)15-10(14)12(11)7-8-5-3-2-4-6-8/h2-6,10,14H,7H2,1H3
InChIKeySVONWQSGIAXONG-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.76
Rot. Bonds2

About 4-benzyl-5-hydroxy-3-methyl-1,3,4-oxadiazolidin-2-one

4-benzyl-5-hydroxy-3-methyl-1,3,4-oxadiazolidin-2-one (PubChem CID 86643537) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 4-benzyl-5-hydroxy-3-methyl-1,3,4-oxadiazolidin-2-one.

Molecular Properties

Compound Name4-benzyl-5-hydroxy-3-methyl-1,3,4-oxadiazolidin-2-one
PubChem CID86643537
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name4-benzyl-5-hydroxy-3-methyl-1,3,4-oxadiazolidin-2-one
SMILESCN1C(=O)OC(O)N1Cc1ccccc1
InChIInChI=1S/C10H12N2O3/c1-11-9(13)15-10(14)12(11)7-8-5-3-2-4-6-8/h2-6,10,14H,7H2,1H3
InChIKeySVONWQSGIAXONG-UHFFFAOYSA-N
XLogP0.76
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione
CID 729946
(4R,5S)-3-benzyl-5-(2-chlorophenyl)-4-hydroxy-1,3-oxazolidin-2-one
CID 68641056
(4R,5R)-3-benzyl-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one
CID 146267205
1-benzyl-3,4-bis(trimethylsilyl)pyrrolidine-2,5-dione
CID 10544651
3-benzyl-4-hydroxy-3-azabicyclo[3.2.1]octan-2-one
CID 139809899
5-benzyl-2-methyl-4-phenyl-1,2,5-oxadiazinane-3,6-dione
CID 101385697
(4R)-1-benzyl-4-hydroxy-3,3-dimethylpyrrolidine-2,5-dione
CID 100953267
(4S,5S)-3-benzyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 11086728
(3R,4S,6R)-1-benzyl-4-hydroxy-3,6-dimethylpiperidin-2-one
CID 156527480
(2R)-1-benzyl-2-hydroxy-2H-pyrrol-5-one
CID 15504440
2-benzyl-4-hydroxy-5,6-dimethyl-1-oxo-1,2,6-thiadiazinan-3-one
CID 58122472
(5S)-3-benzyl-2-oxo-1,3-oxazolidine-5-carbaldehyde
CID 10954695

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-5-hydroxy-3-methyl-1,3,4-oxadiazolidin-2-one?
The IUPAC name of 4-benzyl-5-hydroxy-3-methyl-1,3,4-oxadiazolidin-2-one (CID 86643537) is 4-benzyl-5-hydroxy-3-methyl-1,3,4-oxadiazolidin-2-one.
What is the SMILES notation for 4-benzyl-5-hydroxy-3-methyl-1,3,4-oxadiazolidin-2-one?
The canonical SMILES for 4-benzyl-5-hydroxy-3-methyl-1,3,4-oxadiazolidin-2-one is CN1C(=O)OC(O)N1Cc1ccccc1.
What is the InChIKey of 4-benzyl-5-hydroxy-3-methyl-1,3,4-oxadiazolidin-2-one?
The InChIKey is SVONWQSGIAXONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-11-9(13)15-10(14)12(11)7-8-5-3-2-4-6-8/h2-6,10,14H,7H2,1H3.
What are the key properties of 4-benzyl-5-hydroxy-3-methyl-1,3,4-oxadiazolidin-2-one?
4-benzyl-5-hydroxy-3-methyl-1,3,4-oxadiazolidin-2-one has a molecular weight of 208.22 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-5-hydroxy-3-methyl-1,3,4-oxadiazolidin-2-one is sourced from PubChem (CID 86643537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).