2-(benzenesulfonylmethyl)-4,5-dihydro-1,3-oxazole

C10H11NO3S — CID 86023684

IUPAC2-(benzenesulfonylmethyl)-4,5-dihydro-1,3-oxazole
SMILESO=S(=O)(CC1=NCCO1)c1ccccc1
InChIInChI=1S/C10H11NO3S/c12-15(13,8-10-11-6-7-14-10)9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyMYSIJQDWTBRYEW-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.89
Rot. Bonds3

About 2-(benzenesulfonylmethyl)-4,5-dihydro-1,3-oxazole

2-(benzenesulfonylmethyl)-4,5-dihydro-1,3-oxazole (PubChem CID 86023684) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is 2-(benzenesulfonylmethyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(benzenesulfonylmethyl)-4,5-dihydro-1,3-oxazole
PubChem CID86023684
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC Name2-(benzenesulfonylmethyl)-4,5-dihydro-1,3-oxazole
SMILESO=S(=O)(CC1=NCCO1)c1ccccc1
InChIInChI=1S/C10H11NO3S/c12-15(13,8-10-11-6-7-14-10)9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyMYSIJQDWTBRYEW-UHFFFAOYSA-N
XLogP0.89
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(benzenesulfonylmethyl)-4,5-dihydro-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-(benzenesulfonylmethyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(benzenesulfonylmethyl)-4,5-dihydro-1,3-oxazole (CID 86023684) is 2-(benzenesulfonylmethyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(benzenesulfonylmethyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(benzenesulfonylmethyl)-4,5-dihydro-1,3-oxazole is O=S(=O)(CC1=NCCO1)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonylmethyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is MYSIJQDWTBRYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3S/c12-15(13,8-10-11-6-7-14-10)9-4-2-1-3-5-9/h1-5H,6-8H2.
What are the key properties of 2-(benzenesulfonylmethyl)-4,5-dihydro-1,3-oxazole?
2-(benzenesulfonylmethyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 225.27 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonylmethyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 86023684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).