1-[2-(1,3-oxazol-5-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride

C9H11FN2O4S — CID 168714935

IUPAC1-[2-(1,3-oxazol-5-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1CCc1cnco1
InChIInChI=1S/C9H11FN2O4S/c10-17(14,15)8-3-9(13)12(5-8)2-1-7-4-11-6-16-7/h4,6,8H,1-3,5H2
InChIKeyFRXACKQGCZPSJH-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.12
Rot. Bonds4

About 1-[2-(1,3-oxazol-5-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride

1-[2-(1,3-oxazol-5-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168714935) has the molecular formula C9H11FN2O4S and a molecular weight of 262.26 g/mol. Its IUPAC name is 1-[2-(1,3-oxazol-5-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-[2-(1,3-oxazol-5-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168714935
Molecular FormulaC9H11FN2O4S
Molecular Weight262.26 g/mol
Exact Mass262.04
IUPAC Name1-[2-(1,3-oxazol-5-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1CCc1cnco1
InChIInChI=1S/C9H11FN2O4S/c10-17(14,15)8-3-9(13)12(5-8)2-1-7-4-11-6-16-7/h4,6,8H,1-3,5H2
InChIKeyFRXACKQGCZPSJH-UHFFFAOYSA-N
XLogP0.12
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 ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-oxazol-5-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-[2-(1,3-oxazol-5-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168714935) is 1-[2-(1,3-oxazol-5-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-[2-(1,3-oxazol-5-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-[2-(1,3-oxazol-5-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride is O=C1CC(S(=O)(=O)F)CN1CCc1cnco1.
What is the InChIKey of 1-[2-(1,3-oxazol-5-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is FRXACKQGCZPSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O4S/c10-17(14,15)8-3-9(13)12(5-8)2-1-7-4-11-6-16-7/h4,6,8H,1-3,5H2.
What are the key properties of 1-[2-(1,3-oxazol-5-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
1-[2-(1,3-oxazol-5-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 262.26 g/mol, XLogP of 0.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-oxazol-5-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168714935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).