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

C9H11ClN2O4S — CID 168673836

IUPAC[1-(1,3-oxazol-5-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
SMILESO=C1CC(CS(=O)(=O)Cl)CN1Cc1cnco1
InChIInChI=1S/C9H11ClN2O4S/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
InChIKeyRYIZTKWEXOERCI-UHFFFAOYSA-N
MW278.72 g/mol
LogP0.59
Rot. Bonds4

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

[1-(1,3-oxazol-5-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride (PubChem CID 168673836) has the molecular formula C9H11ClN2O4S and a molecular weight of 278.72 g/mol. Its IUPAC name is [1-(1,3-oxazol-5-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[1-(1,3-oxazol-5-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
PubChem CID168673836
Molecular FormulaC9H11ClN2O4S
Molecular Weight278.72 g/mol
Exact Mass278.01
IUPAC Name[1-(1,3-oxazol-5-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
SMILESO=C1CC(CS(=O)(=O)Cl)CN1Cc1cnco1
InChIInChI=1S/C9H11ClN2O4S/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
InChIKeyRYIZTKWEXOERCI-UHFFFAOYSA-N
XLogP0.59
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.72
LogP ≤ 50.59
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 chloride?
The IUPAC name of [1-(1,3-oxazol-5-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride (CID 168673836) is [1-(1,3-oxazol-5-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride.
What is the SMILES notation for [1-(1,3-oxazol-5-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The canonical SMILES for [1-(1,3-oxazol-5-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride is O=C1CC(CS(=O)(=O)Cl)CN1Cc1cnco1.
What is the InChIKey of [1-(1,3-oxazol-5-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The InChIKey is RYIZTKWEXOERCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O4S/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 chloride?
[1-(1,3-oxazol-5-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride has a molecular weight of 278.72 g/mol, XLogP of 0.59, 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 chloride is sourced from PubChem (CID 168673836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).