[1-(1,3-oxazol-5-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C9H11FN2O4S — CID 168676687

IUPAC[1-(1,3-oxazol-5-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1Cc1cnco1
InChIInChI=1S/C9H11FN2O4S/c10-17(14,15)5-7-1-9(13)12(3-7)4-8-2-11-6-16-8/h2,6-7H,1,3-5H2
InChIKeyLIKBPZMHSRVBPY-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.32
Rot. Bonds4

About [1-(1,3-oxazol-5-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-(1,3-oxazol-5-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168676687) has the molecular formula C9H11FN2O4S and a molecular weight of 262.26 g/mol. Its IUPAC name is [1-(1,3-oxazol-5-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(1,3-oxazol-5-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168676687
Molecular FormulaC9H11FN2O4S
Molecular Weight262.26 g/mol
Exact Mass262.04
IUPAC Name[1-(1,3-oxazol-5-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1Cc1cnco1
InChIInChI=1S/C9H11FN2O4S/c10-17(14,15)5-7-1-9(13)12(3-7)4-8-2-11-6-16-8/h2,6-7H,1,3-5H2
InChIKeyLIKBPZMHSRVBPY-UHFFFAOYSA-N
XLogP0.32
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(1,3-oxazol-5-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(1,3-oxazol-5-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168676687) is [1-(1,3-oxazol-5-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(1,3-oxazol-5-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(1,3-oxazol-5-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is O=C1CC(CS(=O)(=O)F)CN1Cc1cnco1.
What is the InChIKey of [1-(1,3-oxazol-5-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is LIKBPZMHSRVBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O4S/c10-17(14,15)5-7-1-9(13)12(3-7)4-8-2-11-6-16-8/h2,6-7H,1,3-5H2.
What are the key properties of [1-(1,3-oxazol-5-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(1,3-oxazol-5-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 262.26 g/mol, XLogP of 0.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-oxazol-5-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168676687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).