3-(1-propylsulfonylpyrrolidin-3-yl)-5-pyridin-4-yl-1,2,4-oxadiazole

C14H18N4O3S — CID 91905580

IUPAC3-(1-propylsulfonylpyrrolidin-3-yl)-5-pyridin-4-yl-1,2,4-oxadiazole
SMILESCCCS(=O)(=O)N1CCC(c2noc(-c3ccncc3)n2)C1
InChIInChI=1S/C14H18N4O3S/c1-2-9-22(19,20)18-8-5-12(10-18)13-16-14(21-17-13)11-3-6-15-7-4-11/h3-4,6-7,12H,2,5,8-10H2,1H3
InChIKeySDWSTQFRLNFDCD-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.66
Rot. Bonds5

About 3-(1-propylsulfonylpyrrolidin-3-yl)-5-pyridin-4-yl-1,2,4-oxadiazole

3-(1-propylsulfonylpyrrolidin-3-yl)-5-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 91905580) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is 3-(1-propylsulfonylpyrrolidin-3-yl)-5-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-propylsulfonylpyrrolidin-3-yl)-5-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID91905580
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Name3-(1-propylsulfonylpyrrolidin-3-yl)-5-pyridin-4-yl-1,2,4-oxadiazole
SMILESCCCS(=O)(=O)N1CCC(c2noc(-c3ccncc3)n2)C1
InChIInChI=1S/C14H18N4O3S/c1-2-9-22(19,20)18-8-5-12(10-18)13-16-14(21-17-13)11-3-6-15-7-4-11/h3-4,6-7,12H,2,5,8-10H2,1H3
InChIKeySDWSTQFRLNFDCD-UHFFFAOYSA-N
XLogP1.66
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-propylsulfonylpyrrolidin-3-yl)-5-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(1-propylsulfonylpyrrolidin-3-yl)-5-pyridin-4-yl-1,2,4-oxadiazole (CID 91905580) is 3-(1-propylsulfonylpyrrolidin-3-yl)-5-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-propylsulfonylpyrrolidin-3-yl)-5-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-propylsulfonylpyrrolidin-3-yl)-5-pyridin-4-yl-1,2,4-oxadiazole is CCCS(=O)(=O)N1CCC(c2noc(-c3ccncc3)n2)C1.
What is the InChIKey of 3-(1-propylsulfonylpyrrolidin-3-yl)-5-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is SDWSTQFRLNFDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-2-9-22(19,20)18-8-5-12(10-18)13-16-14(21-17-13)11-3-6-15-7-4-11/h3-4,6-7,12H,2,5,8-10H2,1H3.
What are the key properties of 3-(1-propylsulfonylpyrrolidin-3-yl)-5-pyridin-4-yl-1,2,4-oxadiazole?
3-(1-propylsulfonylpyrrolidin-3-yl)-5-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 322.39 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propylsulfonylpyrrolidin-3-yl)-5-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 91905580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).