[5-oxo-1-[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-3-yl]methanesulfonamide

C11H16N4O5S — CID 168680511

IUPAC[5-oxo-1-[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(c2nnc(C3CCCO3)o2)C1
InChIInChI=1S/C11H16N4O5S/c12-21(17,18)6-7-4-9(16)15(5-7)11-14-13-10(20-11)8-2-1-3-19-8/h7-8H,1-6H2,(H2,12,17,18)
InChIKeySTPKDUFXQSPSAR-UHFFFAOYSA-N
MW316.34 g/mol
LogP-0.44
Rot. Bonds4

About [5-oxo-1-[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-3-yl]methanesulfonamide

[5-oxo-1-[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-3-yl]methanesulfonamide (PubChem CID 168680511) has the molecular formula C11H16N4O5S and a molecular weight of 316.34 g/mol. Its IUPAC name is [5-oxo-1-[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[5-oxo-1-[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-3-yl]methanesulfonamide
PubChem CID168680511
Molecular FormulaC11H16N4O5S
Molecular Weight316.34 g/mol
Exact Mass316.08
IUPAC Name[5-oxo-1-[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(c2nnc(C3CCCO3)o2)C1
InChIInChI=1S/C11H16N4O5S/c12-21(17,18)6-7-4-9(16)15(5-7)11-14-13-10(20-11)8-2-1-3-19-8/h7-8H,1-6H2,(H2,12,17,18)
InChIKeySTPKDUFXQSPSAR-UHFFFAOYSA-N
XLogP-0.44
TPSA128.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-oxo-1-[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [5-oxo-1-[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-3-yl]methanesulfonamide (CID 168680511) is [5-oxo-1-[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [5-oxo-1-[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [5-oxo-1-[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-3-yl]methanesulfonamide is NS(=O)(=O)CC1CC(=O)N(c2nnc(C3CCCO3)o2)C1.
What is the InChIKey of [5-oxo-1-[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is STPKDUFXQSPSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O5S/c12-21(17,18)6-7-4-9(16)15(5-7)11-14-13-10(20-11)8-2-1-3-19-8/h7-8H,1-6H2,(H2,12,17,18).
What are the key properties of [5-oxo-1-[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-3-yl]methanesulfonamide?
[5-oxo-1-[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 316.34 g/mol, XLogP of -0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-oxo-1-[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168680511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).