2-benzylsulfinyl-1,3-oxazole

C10H9NO2S — CID 67022513

IUPAC2-benzylsulfinyl-1,3-oxazole
SMILESO=S(Cc1ccccc1)c1ncco1
InChIInChI=1S/C10H9NO2S/c12-14(10-11-6-7-13-10)8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyWPKQZUSRQAUXKA-UHFFFAOYSA-N
MW207.25 g/mol
LogP1.98
Rot. Bonds3

About 2-benzylsulfinyl-1,3-oxazole

2-benzylsulfinyl-1,3-oxazole (PubChem CID 67022513) has the molecular formula C10H9NO2S and a molecular weight of 207.25 g/mol. Its IUPAC name is 2-benzylsulfinyl-1,3-oxazole.

Molecular Properties

Compound Name2-benzylsulfinyl-1,3-oxazole
PubChem CID67022513
Molecular FormulaC10H9NO2S
Molecular Weight207.25 g/mol
Exact Mass207.04
IUPAC Name2-benzylsulfinyl-1,3-oxazole
SMILESO=S(Cc1ccccc1)c1ncco1
InChIInChI=1S/C10H9NO2S/c12-14(10-11-6-7-13-10)8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyWPKQZUSRQAUXKA-UHFFFAOYSA-N
XLogP1.98
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-benzylsulfinyl-1,3-oxazole 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 2-benzylsulfinyl-1,3-oxazole?
The IUPAC name of 2-benzylsulfinyl-1,3-oxazole (CID 67022513) is 2-benzylsulfinyl-1,3-oxazole.
What is the SMILES notation for 2-benzylsulfinyl-1,3-oxazole?
The canonical SMILES for 2-benzylsulfinyl-1,3-oxazole is O=S(Cc1ccccc1)c1ncco1.
What is the InChIKey of 2-benzylsulfinyl-1,3-oxazole?
The InChIKey is WPKQZUSRQAUXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S/c12-14(10-11-6-7-13-10)8-9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 2-benzylsulfinyl-1,3-oxazole?
2-benzylsulfinyl-1,3-oxazole has a molecular weight of 207.25 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfinyl-1,3-oxazole is sourced from PubChem (CID 67022513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).