2-[(4-methylphenyl)sulfonylmethyl]-4,5-dihydro-1,3-oxazole

C11H13NO3S — CID 86023687

IUPAC2-[(4-methylphenyl)sulfonylmethyl]-4,5-dihydro-1,3-oxazole
SMILESCc1ccc(S(=O)(=O)CC2=NCCO2)cc1
InChIInChI=1S/C11H13NO3S/c1-9-2-4-10(5-3-9)16(13,14)8-11-12-6-7-15-11/h2-5H,6-8H2,1H3
InChIKeyDJIUQMXOOFJLFB-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.20
Rot. Bonds3

About 2-[(4-methylphenyl)sulfonylmethyl]-4,5-dihydro-1,3-oxazole

2-[(4-methylphenyl)sulfonylmethyl]-4,5-dihydro-1,3-oxazole (PubChem CID 86023687) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is 2-[(4-methylphenyl)sulfonylmethyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[(4-methylphenyl)sulfonylmethyl]-4,5-dihydro-1,3-oxazole
PubChem CID86023687
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Name2-[(4-methylphenyl)sulfonylmethyl]-4,5-dihydro-1,3-oxazole
SMILESCc1ccc(S(=O)(=O)CC2=NCCO2)cc1
InChIInChI=1S/C11H13NO3S/c1-9-2-4-10(5-3-9)16(13,14)8-11-12-6-7-15-11/h2-5H,6-8H2,1H3
InChIKeyDJIUQMXOOFJLFB-UHFFFAOYSA-N
XLogP1.20
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(4-methylphenyl)sulfonylmethyl]-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

Related Compounds

Morpholine, 4-(2-(4-tolylsulfonyl)ethyl)-, hydrochloride
CID 3050843
2-[[(E)-2-(benzenesulfonyl)ethenyl]sulfonylmethyl]-4,5-dihydro-1,3-oxazole
CID 46837730
2-[[(E)-2-(4-methylphenyl)sulfonylethenyl]sulfonylmethyl]-4,5-dihydro-1,3-oxazole
CID 46837862
2-[[(E)-2-(4-methylphenyl)sulfonylethenyl]sulfonylmethyl]-4,5-dihydro-1,3-thiazole
CID 46837865
(4S,5S)-5-ethyl-4-(4-methylphenyl)sulfonyl-4,5-dihydro-1,3-oxazole
CID 11821105
4-{2-[(4-Methylphenyl)sulfonyl]ethyl}morpholine
CID 253895
1-Tosyl-3-isocyanopropane
CID 20560477
Tosyloxazoline
CID 22170067
1-Ethoxycarbonyl-1-tosylmethyl isocyanide
CID 53407215
1-(2-Methoxyethylsulfonyl)-4-methylbenzene
CID 59676191
4-[2-(4-Methylphenyl)sulfinylethyl]morpholine
CID 214238
5-fluoro-2-(4-methylphenyl)sulfonyl-2H-pyrrole
CID 135122366

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)sulfonylmethyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[(4-methylphenyl)sulfonylmethyl]-4,5-dihydro-1,3-oxazole (CID 86023687) is 2-[(4-methylphenyl)sulfonylmethyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[(4-methylphenyl)sulfonylmethyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[(4-methylphenyl)sulfonylmethyl]-4,5-dihydro-1,3-oxazole is Cc1ccc(S(=O)(=O)CC2=NCCO2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)sulfonylmethyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is DJIUQMXOOFJLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S/c1-9-2-4-10(5-3-9)16(13,14)8-11-12-6-7-15-11/h2-5H,6-8H2,1H3.
What are the key properties of 2-[(4-methylphenyl)sulfonylmethyl]-4,5-dihydro-1,3-oxazole?
2-[(4-methylphenyl)sulfonylmethyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 239.30 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)sulfonylmethyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 86023687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).