1-[2-[3-(1-propan-2-ylsulfonylazetidin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone

C14H22N4O4S — CID 91921578

IUPAC1-[2-[3-(1-propan-2-ylsulfonylazetidin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1nc(C2CN(S(=O)(=O)C(C)C)C2)no1
InChIInChI=1S/C14H22N4O4S/c1-9(2)23(20,21)17-7-11(8-17)13-15-14(22-16-13)12-5-4-6-18(12)10(3)19/h9,11-12H,4-8H2,1-3H3
InChIKeyNUBOKIZTGIABNW-UHFFFAOYSA-N
MW342.42 g/mol
LogP0.89
Rot. Bonds4

About 1-[2-[3-(1-propan-2-ylsulfonylazetidin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone

1-[2-[3-(1-propan-2-ylsulfonylazetidin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone (PubChem CID 91921578) has the molecular formula C14H22N4O4S and a molecular weight of 342.42 g/mol. Its IUPAC name is 1-[2-[3-(1-propan-2-ylsulfonylazetidin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[3-(1-propan-2-ylsulfonylazetidin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone
PubChem CID91921578
Molecular FormulaC14H22N4O4S
Molecular Weight342.42 g/mol
Exact Mass342.14
IUPAC Name1-[2-[3-(1-propan-2-ylsulfonylazetidin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1nc(C2CN(S(=O)(=O)C(C)C)C2)no1
InChIInChI=1S/C14H22N4O4S/c1-9(2)23(20,21)17-7-11(8-17)13-15-14(22-16-13)12-5-4-6-18(12)10(3)19/h9,11-12H,4-8H2,1-3H3
InChIKeyNUBOKIZTGIABNW-UHFFFAOYSA-N
XLogP0.89
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-[3-(1-propan-2-ylsulfonylazetidin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(1-propan-2-ylsulfonylazetidin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[2-[3-(1-propan-2-ylsulfonylazetidin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone (CID 91921578) is 1-[2-[3-(1-propan-2-ylsulfonylazetidin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-[3-(1-propan-2-ylsulfonylazetidin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[2-[3-(1-propan-2-ylsulfonylazetidin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCCC1c1nc(C2CN(S(=O)(=O)C(C)C)C2)no1.
What is the InChIKey of 1-[2-[3-(1-propan-2-ylsulfonylazetidin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is NUBOKIZTGIABNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O4S/c1-9(2)23(20,21)17-7-11(8-17)13-15-14(22-16-13)12-5-4-6-18(12)10(3)19/h9,11-12H,4-8H2,1-3H3.
What are the key properties of 1-[2-[3-(1-propan-2-ylsulfonylazetidin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone?
1-[2-[3-(1-propan-2-ylsulfonylazetidin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 342.42 g/mol, XLogP of 0.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(1-propan-2-ylsulfonylazetidin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 91921578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).