3-[1-(2-methylphenyl)sulfonylpyrrolidin-2-yl]-5-propyl-1,2-oxazole

C17H22N2O3S — CID 50809472

IUPAC3-[1-(2-methylphenyl)sulfonylpyrrolidin-2-yl]-5-propyl-1,2-oxazole
SMILESCCCc1cc(C2CCCN2S(=O)(=O)c2ccccc2C)no1
InChIInChI=1S/C17H22N2O3S/c1-3-7-14-12-15(18-22-14)16-9-6-11-19(16)23(20,21)17-10-5-4-8-13(17)2/h4-5,8,10,12,16H,3,6-7,9,11H2,1-2H3
InChIKeyZSPHCARLNHJOFX-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.46
Rot. Bonds5

About 3-[1-(2-methylphenyl)sulfonylpyrrolidin-2-yl]-5-propyl-1,2-oxazole

3-[1-(2-methylphenyl)sulfonylpyrrolidin-2-yl]-5-propyl-1,2-oxazole (PubChem CID 50809472) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is 3-[1-(2-methylphenyl)sulfonylpyrrolidin-2-yl]-5-propyl-1,2-oxazole.

Molecular Properties

Compound Name3-[1-(2-methylphenyl)sulfonylpyrrolidin-2-yl]-5-propyl-1,2-oxazole
PubChem CID50809472
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name3-[1-(2-methylphenyl)sulfonylpyrrolidin-2-yl]-5-propyl-1,2-oxazole
SMILESCCCc1cc(C2CCCN2S(=O)(=O)c2ccccc2C)no1
InChIInChI=1S/C17H22N2O3S/c1-3-7-14-12-15(18-22-14)16-9-6-11-19(16)23(20,21)17-10-5-4-8-13(17)2/h4-5,8,10,12,16H,3,6-7,9,11H2,1-2H3
InChIKeyZSPHCARLNHJOFX-UHFFFAOYSA-N
XLogP3.46
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methylphenyl)sulfonylpyrrolidin-2-yl]-5-propyl-1,2-oxazole?
The IUPAC name of 3-[1-(2-methylphenyl)sulfonylpyrrolidin-2-yl]-5-propyl-1,2-oxazole (CID 50809472) is 3-[1-(2-methylphenyl)sulfonylpyrrolidin-2-yl]-5-propyl-1,2-oxazole.
What is the SMILES notation for 3-[1-(2-methylphenyl)sulfonylpyrrolidin-2-yl]-5-propyl-1,2-oxazole?
The canonical SMILES for 3-[1-(2-methylphenyl)sulfonylpyrrolidin-2-yl]-5-propyl-1,2-oxazole is CCCc1cc(C2CCCN2S(=O)(=O)c2ccccc2C)no1.
What is the InChIKey of 3-[1-(2-methylphenyl)sulfonylpyrrolidin-2-yl]-5-propyl-1,2-oxazole?
The InChIKey is ZSPHCARLNHJOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-3-7-14-12-15(18-22-14)16-9-6-11-19(16)23(20,21)17-10-5-4-8-13(17)2/h4-5,8,10,12,16H,3,6-7,9,11H2,1-2H3.
What are the key properties of 3-[1-(2-methylphenyl)sulfonylpyrrolidin-2-yl]-5-propyl-1,2-oxazole?
3-[1-(2-methylphenyl)sulfonylpyrrolidin-2-yl]-5-propyl-1,2-oxazole has a molecular weight of 334.44 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methylphenyl)sulfonylpyrrolidin-2-yl]-5-propyl-1,2-oxazole is sourced from PubChem (CID 50809472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).