[1-[2-(1,3-oxazol-5-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C10H13FN2O4S — CID 168676532

IUPAC[1-[2-(1,3-oxazol-5-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1CCc1cnco1
InChIInChI=1S/C10H13FN2O4S/c11-18(15,16)6-8-3-10(14)13(5-8)2-1-9-4-12-7-17-9/h4,7-8H,1-3,5-6H2
InChIKeyJYJQKNRMGGPQAM-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.36
Rot. Bonds5

About [1-[2-(1,3-oxazol-5-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-[2-(1,3-oxazol-5-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168676532) has the molecular formula C10H13FN2O4S and a molecular weight of 276.29 g/mol. Its IUPAC name is [1-[2-(1,3-oxazol-5-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-[2-(1,3-oxazol-5-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168676532
Molecular FormulaC10H13FN2O4S
Molecular Weight276.29 g/mol
Exact Mass276.06
IUPAC Name[1-[2-(1,3-oxazol-5-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1CCc1cnco1
InChIInChI=1S/C10H13FN2O4S/c11-18(15,16)6-8-3-10(14)13(5-8)2-1-9-4-12-7-17-9/h4,7-8H,1-3,5-6H2
InChIKeyJYJQKNRMGGPQAM-UHFFFAOYSA-N
XLogP0.36
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-[2-(1,3-oxazol-5-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(1,3-Oxazol-5-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676687
1-[2-(1,3-Oxazol-5-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714935
1-(1,3-Oxazol-5-ylmethyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715090
1-[2-(1,3-Oxazol-5-yl)ethyl]pyrrolidine-2,4-dione
CID 168494078
4-Ethynyl-1-[2-(1,3-oxazol-5-yl)ethyl]pyrrolidin-2-one
CID 168501702
4-(Bromomethyl)-1-[2-(1,3-oxazol-5-yl)ethyl]pyrrolidin-2-one
CID 168505023
4-(Azidomethyl)-1-[2-(1,3-oxazol-5-yl)ethyl]pyrrolidin-2-one
CID 168657281
4-(Aminomethyl)-1-[2-(1,3-oxazol-5-yl)ethyl]pyrrolidin-2-one
CID 168660275
S-[[1-[2-(1,3-oxazol-5-yl)ethyl]-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168667694
1-[2-(1,3-Oxazol-5-yl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671023
[1-[2-(1,3-Oxazol-5-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673720
[1-(1,3-Oxazol-5-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673836

Frequently Asked Questions

What is the IUPAC name of [1-[2-(1,3-oxazol-5-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-[2-(1,3-oxazol-5-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168676532) is [1-[2-(1,3-oxazol-5-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-[2-(1,3-oxazol-5-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-[2-(1,3-oxazol-5-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is O=C1CC(CS(=O)(=O)F)CN1CCc1cnco1.
What is the InChIKey of [1-[2-(1,3-oxazol-5-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is JYJQKNRMGGPQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O4S/c11-18(15,16)6-8-3-10(14)13(5-8)2-1-9-4-12-7-17-9/h4,7-8H,1-3,5-6H2.
What are the key properties of [1-[2-(1,3-oxazol-5-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-[2-(1,3-oxazol-5-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 276.29 g/mol, XLogP of 0.36, 5 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-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168676532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).