[1-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride

C11H10ClN3O5S — CID 168674598

IUPAC[1-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
SMILESO=C1CC(CS(=O)(=O)Cl)CN1c1nnc(-c2ccco2)o1
InChIInChI=1S/C11H10ClN3O5S/c12-21(17,18)6-7-4-9(16)15(5-7)11-14-13-10(20-11)8-2-1-3-19-8/h1-3,7H,4-6H2
InChIKeyXTHRBQWLVQSXSO-UHFFFAOYSA-N
MW331.74 g/mol
LogP1.25
Rot. Bonds4

About [1-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride

[1-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride (PubChem CID 168674598) has the molecular formula C11H10ClN3O5S and a molecular weight of 331.74 g/mol. Its IUPAC name is [1-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[1-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
PubChem CID168674598
Molecular FormulaC11H10ClN3O5S
Molecular Weight331.74 g/mol
Exact Mass331.00
IUPAC Name[1-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
SMILESO=C1CC(CS(=O)(=O)Cl)CN1c1nnc(-c2ccco2)o1
InChIInChI=1S/C11H10ClN3O5S/c12-21(17,18)6-7-4-9(16)15(5-7)11-14-13-10(20-11)8-2-1-3-19-8/h1-3,7H,4-6H2
InChIKeyXTHRBQWLVQSXSO-UHFFFAOYSA-N
XLogP1.25
TPSA106.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.74
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The IUPAC name of [1-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride (CID 168674598) is [1-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride.
What is the SMILES notation for [1-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The canonical SMILES for [1-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride is O=C1CC(CS(=O)(=O)Cl)CN1c1nnc(-c2ccco2)o1.
What is the InChIKey of [1-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The InChIKey is XTHRBQWLVQSXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O5S/c12-21(17,18)6-7-4-9(16)15(5-7)11-14-13-10(20-11)8-2-1-3-19-8/h1-3,7H,4-6H2.
What are the key properties of [1-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
[1-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride has a molecular weight of 331.74 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride is sourced from PubChem (CID 168674598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).