3-methoxy-1,3-oxazole-2-thione

C4H5NO2S — CID 122591684

IUPAC3-methoxy-1,3-oxazole-2-thione
SMILESCOn1ccoc1=S
InChIInChI=1S/C4H5NO2S/c1-6-5-2-3-7-4(5)8/h2-3H,1H3
InChIKeyUYZXTXKAEVMVPF-UHFFFAOYSA-N
MW131.16 g/mol
LogP0.87
Rot. Bonds1

About 3-methoxy-1,3-oxazole-2-thione

3-methoxy-1,3-oxazole-2-thione (PubChem CID 122591684) has the molecular formula C4H5NO2S and a molecular weight of 131.16 g/mol. Its IUPAC name is 3-methoxy-1,3-oxazole-2-thione.

Molecular Properties

Compound Name3-methoxy-1,3-oxazole-2-thione
PubChem CID122591684
Molecular FormulaC4H5NO2S
Molecular Weight131.16 g/mol
Exact Mass131.00
IUPAC Name3-methoxy-1,3-oxazole-2-thione
SMILESCOn1ccoc1=S
InChIInChI=1S/C4H5NO2S/c1-6-5-2-3-7-4(5)8/h2-3H,1H3
InChIKeyUYZXTXKAEVMVPF-UHFFFAOYSA-N
XLogP0.87
TPSA27.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.16
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-methoxy-1,3-oxazole-2-thione 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 3-methoxy-1,3-oxazole-2-thione?
The IUPAC name of 3-methoxy-1,3-oxazole-2-thione (CID 122591684) is 3-methoxy-1,3-oxazole-2-thione.
What is the SMILES notation for 3-methoxy-1,3-oxazole-2-thione?
The canonical SMILES for 3-methoxy-1,3-oxazole-2-thione is COn1ccoc1=S.
What is the InChIKey of 3-methoxy-1,3-oxazole-2-thione?
The InChIKey is UYZXTXKAEVMVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2S/c1-6-5-2-3-7-4(5)8/h2-3H,1H3.
What are the key properties of 3-methoxy-1,3-oxazole-2-thione?
3-methoxy-1,3-oxazole-2-thione has a molecular weight of 131.16 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1,3-oxazole-2-thione is sourced from PubChem (CID 122591684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).