3-(1-methylsulfonylpyrrolidin-2-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole

C16H19N3O3S — CID 119043574

IUPAC3-(1-methylsulfonylpyrrolidin-2-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole
SMILESCS(=O)(=O)N1CCCC1c1noc(C2(c3ccccc3)CC2)n1
InChIInChI=1S/C16H19N3O3S/c1-23(20,21)19-11-5-8-13(19)14-17-15(22-18-14)16(9-10-16)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3
InChIKeyRVSURUUBSRUIAX-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.25
Rot. Bonds4

About 3-(1-methylsulfonylpyrrolidin-2-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole

3-(1-methylsulfonylpyrrolidin-2-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole (PubChem CID 119043574) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 3-(1-methylsulfonylpyrrolidin-2-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-methylsulfonylpyrrolidin-2-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole
PubChem CID119043574
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name3-(1-methylsulfonylpyrrolidin-2-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole
SMILESCS(=O)(=O)N1CCCC1c1noc(C2(c3ccccc3)CC2)n1
InChIInChI=1S/C16H19N3O3S/c1-23(20,21)19-11-5-8-13(19)14-17-15(22-18-14)16(9-10-16)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3
InChIKeyRVSURUUBSRUIAX-UHFFFAOYSA-N
XLogP2.25
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylsulfonylpyrrolidin-2-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-methylsulfonylpyrrolidin-2-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole (CID 119043574) is 3-(1-methylsulfonylpyrrolidin-2-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-methylsulfonylpyrrolidin-2-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-methylsulfonylpyrrolidin-2-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole is CS(=O)(=O)N1CCCC1c1noc(C2(c3ccccc3)CC2)n1.
What is the InChIKey of 3-(1-methylsulfonylpyrrolidin-2-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole?
The InChIKey is RVSURUUBSRUIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-23(20,21)19-11-5-8-13(19)14-17-15(22-18-14)16(9-10-16)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3.
What are the key properties of 3-(1-methylsulfonylpyrrolidin-2-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole?
3-(1-methylsulfonylpyrrolidin-2-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole has a molecular weight of 333.41 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylsulfonylpyrrolidin-2-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 119043574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).