2-(4-methylphenyl)sulfonyl-4,5-dihydro-1,3-oxazole

C10H11NO3S — CID 22170067

IUPAC2-(4-methylphenyl)sulfonyl-4,5-dihydro-1,3-oxazole
SMILESCc1ccc(S(=O)(=O)C2=NCCO2)cc1
InChIInChI=1S/C10H11NO3S/c1-8-2-4-9(5-3-8)15(12,13)10-11-6-7-14-10/h2-5H,6-7H2,1H3
InChIKeyJFJFLKMGNWWGDE-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.15
Rot. Bonds1

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

2-(4-methylphenyl)sulfonyl-4,5-dihydro-1,3-oxazole (PubChem CID 22170067) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfonyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfonyl-4,5-dihydro-1,3-oxazole
PubChem CID22170067
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC Name2-(4-methylphenyl)sulfonyl-4,5-dihydro-1,3-oxazole
SMILESCc1ccc(S(=O)(=O)C2=NCCO2)cc1
InChIInChI=1S/C10H11NO3S/c1-8-2-4-9(5-3-8)15(12,13)10-11-6-7-14-10/h2-5H,6-7H2,1H3
InChIKeyJFJFLKMGNWWGDE-UHFFFAOYSA-N
XLogP1.15
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfonyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(4-methylphenyl)sulfonyl-4,5-dihydro-1,3-oxazole (CID 22170067) is 2-(4-methylphenyl)sulfonyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(4-methylphenyl)sulfonyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(4-methylphenyl)sulfonyl-4,5-dihydro-1,3-oxazole is Cc1ccc(S(=O)(=O)C2=NCCO2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfonyl-4,5-dihydro-1,3-oxazole?
The InChIKey is JFJFLKMGNWWGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3S/c1-8-2-4-9(5-3-8)15(12,13)10-11-6-7-14-10/h2-5H,6-7H2,1H3.
What are the key properties of 2-(4-methylphenyl)sulfonyl-4,5-dihydro-1,3-oxazole?
2-(4-methylphenyl)sulfonyl-4,5-dihydro-1,3-oxazole has a molecular weight of 225.27 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfonyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 22170067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).