5-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1,2-oxazole-4-carbonitrile

C8H7N3O2S — CID 168710285

IUPAC5-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1,2-oxazole-4-carbonitrile
SMILESN#Cc1cnoc1N1CC(S)CC1=O
InChIInChI=1S/C8H7N3O2S/c9-2-5-3-10-13-8(5)11-4-6(14)1-7(11)12/h3,6,14H,1,4H2
InChIKeyGTLAJLIPKJEKFX-UHFFFAOYSA-N
MW209.23 g/mol
LogP0.58
Rot. Bonds1

About 5-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1,2-oxazole-4-carbonitrile

5-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1,2-oxazole-4-carbonitrile (PubChem CID 168710285) has the molecular formula C8H7N3O2S and a molecular weight of 209.23 g/mol. Its IUPAC name is 5-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1,2-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1,2-oxazole-4-carbonitrile
PubChem CID168710285
Molecular FormulaC8H7N3O2S
Molecular Weight209.23 g/mol
Exact Mass209.03
IUPAC Name5-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1,2-oxazole-4-carbonitrile
SMILESN#Cc1cnoc1N1CC(S)CC1=O
InChIInChI=1S/C8H7N3O2S/c9-2-5-3-10-13-8(5)11-4-6(14)1-7(11)12/h3,6,14H,1,4H2
InChIKeyGTLAJLIPKJEKFX-UHFFFAOYSA-N
XLogP0.58
TPSA70.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1,2-oxazole-4-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

5-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-1,2-oxazole-4-carbonitrile
CID 168505881
[1-(4-cyano-1,2-oxazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682878
4-amino-2-(2-oxo-4-sulfanylpyrrolidin-1-yl)pyrimidine-5-carbonitrile
CID 168710214
2-methylsulfanyl-4-(2-oxo-4-sulfanylpyrrolidin-1-yl)pyrimidine-5-carbonitrile
CID 168708705
5-(2-oxo-4-sulfanylpyrrolidin-1-yl)pyridine-2-carbonitrile
CID 168710005
3-chloro-2-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzonitrile
CID 168709631
1-(4-methylphenyl)-5-(2-oxo-4-sulfanylpyrrolidin-1-yl)pyrazole-4-carbonitrile
CID 168708856
4-(2-oxo-4-sulfanylpyrrolidin-1-yl)-2-(trifluoromethyl)benzonitrile
CID 168709881
1-pyridazin-4-yl-4-sulfanylpyrrolidin-2-one
CID 168710654
3-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1-benzofuran-2-carbonitrile
CID 168710296
1-(4-methylpyrimidin-5-yl)-4-sulfanylpyrrolidin-2-one
CID 168709168
5-cyclopropyl-1,2-oxazole-4-carbonitrile
CID 175901219

Frequently Asked Questions

What is the IUPAC name of 5-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1,2-oxazole-4-carbonitrile?
The IUPAC name of 5-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1,2-oxazole-4-carbonitrile (CID 168710285) is 5-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1,2-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1,2-oxazole-4-carbonitrile?
The canonical SMILES for 5-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1,2-oxazole-4-carbonitrile is N#Cc1cnoc1N1CC(S)CC1=O.
What is the InChIKey of 5-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1,2-oxazole-4-carbonitrile?
The InChIKey is GTLAJLIPKJEKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2S/c9-2-5-3-10-13-8(5)11-4-6(14)1-7(11)12/h3,6,14H,1,4H2.
What are the key properties of 5-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1,2-oxazole-4-carbonitrile?
5-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1,2-oxazole-4-carbonitrile has a molecular weight of 209.23 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1,2-oxazole-4-carbonitrile is sourced from PubChem (CID 168710285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).