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

C10H13ClN2O4S — CID 168673720

IUPAC[1-[2-(1,3-oxazol-5-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
SMILESO=C1CC(CS(=O)(=O)Cl)CN1CCc1cnco1
InChIInChI=1S/C10H13ClN2O4S/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
InChIKeyFFTNJLCCVZGRRX-UHFFFAOYSA-N
MW292.74 g/mol
LogP0.63
Rot. Bonds5

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

[1-[2-(1,3-oxazol-5-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride (PubChem CID 168673720) has the molecular formula C10H13ClN2O4S and a molecular weight of 292.74 g/mol. Its IUPAC name is [1-[2-(1,3-oxazol-5-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[1-[2-(1,3-oxazol-5-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
PubChem CID168673720
Molecular FormulaC10H13ClN2O4S
Molecular Weight292.74 g/mol
Exact Mass292.03
IUPAC Name[1-[2-(1,3-oxazol-5-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
SMILESO=C1CC(CS(=O)(=O)Cl)CN1CCc1cnco1
InChIInChI=1S/C10H13ClN2O4S/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
InChIKeyFFTNJLCCVZGRRX-UHFFFAOYSA-N
XLogP0.63
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 50.63
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-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The IUPAC name of [1-[2-(1,3-oxazol-5-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride (CID 168673720) is [1-[2-(1,3-oxazol-5-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride.
What is the SMILES notation for [1-[2-(1,3-oxazol-5-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The canonical SMILES for [1-[2-(1,3-oxazol-5-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride is O=C1CC(CS(=O)(=O)Cl)CN1CCc1cnco1.
What is the InChIKey of [1-[2-(1,3-oxazol-5-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The InChIKey is FFTNJLCCVZGRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O4S/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 chloride?
[1-[2-(1,3-oxazol-5-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride has a molecular weight of 292.74 g/mol, XLogP of 0.63, 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 chloride is sourced from PubChem (CID 168673720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).