4-(4-ethylsulfonylphenyl)-2-methyl-4,5-dihydro-1,3-oxazole

C12H15NO3S — CID 121284614

IUPAC4-(4-ethylsulfonylphenyl)-2-methyl-4,5-dihydro-1,3-oxazole
SMILESCCS(=O)(=O)c1ccc(C2COC(C)=N2)cc1
InChIInChI=1S/C12H15NO3S/c1-3-17(14,15)11-6-4-10(5-7-11)12-8-16-9(2)13-12/h4-7,12H,3,8H2,1-2H3
InChIKeyRMGMQFAFMXGJOK-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.97
Rot. Bonds3

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

4-(4-ethylsulfonylphenyl)-2-methyl-4,5-dihydro-1,3-oxazole (PubChem CID 121284614) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is 4-(4-ethylsulfonylphenyl)-2-methyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-(4-ethylsulfonylphenyl)-2-methyl-4,5-dihydro-1,3-oxazole
PubChem CID121284614
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC Name4-(4-ethylsulfonylphenyl)-2-methyl-4,5-dihydro-1,3-oxazole
SMILESCCS(=O)(=O)c1ccc(C2COC(C)=N2)cc1
InChIInChI=1S/C12H15NO3S/c1-3-17(14,15)11-6-4-10(5-7-11)12-8-16-9(2)13-12/h4-7,12H,3,8H2,1-2H3
InChIKeyRMGMQFAFMXGJOK-UHFFFAOYSA-N
XLogP1.97
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylsulfonylphenyl)-2-methyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-(4-ethylsulfonylphenyl)-2-methyl-4,5-dihydro-1,3-oxazole (CID 121284614) is 4-(4-ethylsulfonylphenyl)-2-methyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-(4-ethylsulfonylphenyl)-2-methyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-(4-ethylsulfonylphenyl)-2-methyl-4,5-dihydro-1,3-oxazole is CCS(=O)(=O)c1ccc(C2COC(C)=N2)cc1.
What is the InChIKey of 4-(4-ethylsulfonylphenyl)-2-methyl-4,5-dihydro-1,3-oxazole?
The InChIKey is RMGMQFAFMXGJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3S/c1-3-17(14,15)11-6-4-10(5-7-11)12-8-16-9(2)13-12/h4-7,12H,3,8H2,1-2H3.
What are the key properties of 4-(4-ethylsulfonylphenyl)-2-methyl-4,5-dihydro-1,3-oxazole?
4-(4-ethylsulfonylphenyl)-2-methyl-4,5-dihydro-1,3-oxazole has a molecular weight of 253.32 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylsulfonylphenyl)-2-methyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 121284614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).