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

C6H8ClNO4S — CID 66156812

IUPAC[5-(methoxymethyl)-1,2-oxazol-3-yl]methanesulfonyl chloride
SMILESCOCc1cc(CS(=O)(=O)Cl)no1
InChIInChI=1S/C6H8ClNO4S/c1-11-3-6-2-5(8-12-6)4-13(7,9)10/h2H,3-4H2,1H3
InChIKeyKDPKJQAMRYMTRW-UHFFFAOYSA-N
MW225.65 g/mol
LogP0.89
Rot. Bonds4

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

[5-(methoxymethyl)-1,2-oxazol-3-yl]methanesulfonyl chloride (PubChem CID 66156812) has the molecular formula C6H8ClNO4S and a molecular weight of 225.65 g/mol. Its IUPAC name is [5-(methoxymethyl)-1,2-oxazol-3-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[5-(methoxymethyl)-1,2-oxazol-3-yl]methanesulfonyl chloride
PubChem CID66156812
Molecular FormulaC6H8ClNO4S
Molecular Weight225.65 g/mol
Exact Mass224.99
IUPAC Name[5-(methoxymethyl)-1,2-oxazol-3-yl]methanesulfonyl chloride
SMILESCOCc1cc(CS(=O)(=O)Cl)no1
InChIInChI=1S/C6H8ClNO4S/c1-11-3-6-2-5(8-12-6)4-13(7,9)10/h2H,3-4H2,1H3
InChIKeyKDPKJQAMRYMTRW-UHFFFAOYSA-N
XLogP0.89
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.65
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(methoxymethyl)-1,2-oxazol-3-yl]methanesulfonyl chloride?
The IUPAC name of [5-(methoxymethyl)-1,2-oxazol-3-yl]methanesulfonyl chloride (CID 66156812) is [5-(methoxymethyl)-1,2-oxazol-3-yl]methanesulfonyl chloride.
What is the SMILES notation for [5-(methoxymethyl)-1,2-oxazol-3-yl]methanesulfonyl chloride?
The canonical SMILES for [5-(methoxymethyl)-1,2-oxazol-3-yl]methanesulfonyl chloride is COCc1cc(CS(=O)(=O)Cl)no1.
What is the InChIKey of [5-(methoxymethyl)-1,2-oxazol-3-yl]methanesulfonyl chloride?
The InChIKey is KDPKJQAMRYMTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNO4S/c1-11-3-6-2-5(8-12-6)4-13(7,9)10/h2H,3-4H2,1H3.
What are the key properties of [5-(methoxymethyl)-1,2-oxazol-3-yl]methanesulfonyl chloride?
[5-(methoxymethyl)-1,2-oxazol-3-yl]methanesulfonyl chloride has a molecular weight of 225.65 g/mol, XLogP of 0.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methoxymethyl)-1,2-oxazol-3-yl]methanesulfonyl chloride is sourced from PubChem (CID 66156812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).