4-(4-methylsulfonylphenyl)-4,5-dihydro-1,3-oxazole

C10H11NO3S — CID 70960205

IUPAC4-(4-methylsulfonylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCS(=O)(=O)c1ccc(C2COC=N2)cc1
InChIInChI=1S/C10H11NO3S/c1-15(12,13)9-4-2-8(3-5-9)10-6-14-7-11-10/h2-5,7,10H,6H2,1H3
InChIKeyUGPWMIKOIWNUMQ-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.19
Rot. Bonds2

About 4-(4-methylsulfonylphenyl)-4,5-dihydro-1,3-oxazole

4-(4-methylsulfonylphenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 70960205) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is 4-(4-methylsulfonylphenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-(4-methylsulfonylphenyl)-4,5-dihydro-1,3-oxazole
PubChem CID70960205
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC Name4-(4-methylsulfonylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCS(=O)(=O)c1ccc(C2COC=N2)cc1
InChIInChI=1S/C10H11NO3S/c1-15(12,13)9-4-2-8(3-5-9)10-6-14-7-11-10/h2-5,7,10H,6H2,1H3
InChIKeyUGPWMIKOIWNUMQ-UHFFFAOYSA-N
XLogP1.19
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylsulfonylphenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-(4-methylsulfonylphenyl)-4,5-dihydro-1,3-oxazole (CID 70960205) is 4-(4-methylsulfonylphenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-(4-methylsulfonylphenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-(4-methylsulfonylphenyl)-4,5-dihydro-1,3-oxazole is CS(=O)(=O)c1ccc(C2COC=N2)cc1.
What is the InChIKey of 4-(4-methylsulfonylphenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is UGPWMIKOIWNUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3S/c1-15(12,13)9-4-2-8(3-5-9)10-6-14-7-11-10/h2-5,7,10H,6H2,1H3.
What are the key properties of 4-(4-methylsulfonylphenyl)-4,5-dihydro-1,3-oxazole?
4-(4-methylsulfonylphenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 225.27 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylsulfonylphenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 70960205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).