1-(1,3-oxazol-5-ylmethyl)-5-oxopyrrolidine-3-sulfonyl fluoride

C8H9FN2O4S — CID 168715090

IUPAC1-(1,3-oxazol-5-ylmethyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1Cc1cnco1
InChIInChI=1S/C8H9FN2O4S/c9-16(13,14)7-1-8(12)11(4-7)3-6-2-10-5-15-6/h2,5,7H,1,3-4H2
InChIKeyOCBWRPJPPMNQAG-UHFFFAOYSA-N
MW248.23 g/mol
LogP0.07
Rot. Bonds3

About 1-(1,3-oxazol-5-ylmethyl)-5-oxopyrrolidine-3-sulfonyl fluoride

1-(1,3-oxazol-5-ylmethyl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168715090) has the molecular formula C8H9FN2O4S and a molecular weight of 248.23 g/mol. Its IUPAC name is 1-(1,3-oxazol-5-ylmethyl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(1,3-oxazol-5-ylmethyl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168715090
Molecular FormulaC8H9FN2O4S
Molecular Weight248.23 g/mol
Exact Mass248.03
IUPAC Name1-(1,3-oxazol-5-ylmethyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1Cc1cnco1
InChIInChI=1S/C8H9FN2O4S/c9-16(13,14)7-1-8(12)11(4-7)3-6-2-10-5-15-6/h2,5,7H,1,3-4H2
InChIKeyOCBWRPJPPMNQAG-UHFFFAOYSA-N
XLogP0.07
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 50.07
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-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(1,3-oxazol-5-ylmethyl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168715090) is 1-(1,3-oxazol-5-ylmethyl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(1,3-oxazol-5-ylmethyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(1,3-oxazol-5-ylmethyl)-5-oxopyrrolidine-3-sulfonyl fluoride is O=C1CC(S(=O)(=O)F)CN1Cc1cnco1.
What is the InChIKey of 1-(1,3-oxazol-5-ylmethyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is OCBWRPJPPMNQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O4S/c9-16(13,14)7-1-8(12)11(4-7)3-6-2-10-5-15-6/h2,5,7H,1,3-4H2.
What are the key properties of 1-(1,3-oxazol-5-ylmethyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(1,3-oxazol-5-ylmethyl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 248.23 g/mol, XLogP of 0.07, 3 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-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168715090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).