1-(1,2-oxazol-3-ylmethyl)-4-sulfanylpyrrolidin-2-one

C8H10N2O2S — CID 168709603

IUPAC1-(1,2-oxazol-3-ylmethyl)-4-sulfanylpyrrolidin-2-one
SMILESO=C1CC(S)CN1Cc1ccon1
InChIInChI=1S/C8H10N2O2S/c11-8-3-7(13)5-10(8)4-6-1-2-12-9-6/h1-2,7,13H,3-5H2
InChIKeyFGOOIOGURRRWMS-UHFFFAOYSA-N
MW198.25 g/mol
LogP0.71
Rot. Bonds2

About 1-(1,2-oxazol-3-ylmethyl)-4-sulfanylpyrrolidin-2-one

1-(1,2-oxazol-3-ylmethyl)-4-sulfanylpyrrolidin-2-one (PubChem CID 168709603) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is 1-(1,2-oxazol-3-ylmethyl)-4-sulfanylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(1,2-oxazol-3-ylmethyl)-4-sulfanylpyrrolidin-2-one
PubChem CID168709603
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Name1-(1,2-oxazol-3-ylmethyl)-4-sulfanylpyrrolidin-2-one
SMILESO=C1CC(S)CN1Cc1ccon1
InChIInChI=1S/C8H10N2O2S/c11-8-3-7(13)5-10(8)4-6-1-2-12-9-6/h1-2,7,13H,3-5H2
InChIKeyFGOOIOGURRRWMS-UHFFFAOYSA-N
XLogP0.71
TPSA46.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1-(1,2-oxazol-3-ylmethyl)-4-sulfanylpyrrolidin-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 1-(1,2-oxazol-3-ylmethyl)-4-sulfanylpyrrolidin-2-one?
The IUPAC name of 1-(1,2-oxazol-3-ylmethyl)-4-sulfanylpyrrolidin-2-one (CID 168709603) is 1-(1,2-oxazol-3-ylmethyl)-4-sulfanylpyrrolidin-2-one.
What is the SMILES notation for 1-(1,2-oxazol-3-ylmethyl)-4-sulfanylpyrrolidin-2-one?
The canonical SMILES for 1-(1,2-oxazol-3-ylmethyl)-4-sulfanylpyrrolidin-2-one is O=C1CC(S)CN1Cc1ccon1.
What is the InChIKey of 1-(1,2-oxazol-3-ylmethyl)-4-sulfanylpyrrolidin-2-one?
The InChIKey is FGOOIOGURRRWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c11-8-3-7(13)5-10(8)4-6-1-2-12-9-6/h1-2,7,13H,3-5H2.
What are the key properties of 1-(1,2-oxazol-3-ylmethyl)-4-sulfanylpyrrolidin-2-one?
1-(1,2-oxazol-3-ylmethyl)-4-sulfanylpyrrolidin-2-one has a molecular weight of 198.25 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-oxazol-3-ylmethyl)-4-sulfanylpyrrolidin-2-one is sourced from PubChem (CID 168709603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).