[5-(1-ethylpyrazol-4-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride

C9H10ClN3O3S — CID 165479252

IUPAC[5-(1-ethylpyrazol-4-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride
SMILESCCn1cc(-c2cc(CS(=O)(=O)Cl)no2)cn1
InChIInChI=1S/C9H10ClN3O3S/c1-2-13-5-7(4-11-13)9-3-8(12-16-9)6-17(10,14)15/h3-5H,2,6H2,1H3
InChIKeyREGFGYFRYSJSPX-UHFFFAOYSA-N
MW275.72 g/mol
LogP1.63
Rot. Bonds4

About [5-(1-ethylpyrazol-4-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride

[5-(1-ethylpyrazol-4-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride (PubChem CID 165479252) has the molecular formula C9H10ClN3O3S and a molecular weight of 275.72 g/mol. Its IUPAC name is [5-(1-ethylpyrazol-4-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[5-(1-ethylpyrazol-4-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride
PubChem CID165479252
Molecular FormulaC9H10ClN3O3S
Molecular Weight275.72 g/mol
Exact Mass275.01
IUPAC Name[5-(1-ethylpyrazol-4-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride
SMILESCCn1cc(-c2cc(CS(=O)(=O)Cl)no2)cn1
InChIInChI=1S/C9H10ClN3O3S/c1-2-13-5-7(4-11-13)9-3-8(12-16-9)6-17(10,14)15/h3-5H,2,6H2,1H3
InChIKeyREGFGYFRYSJSPX-UHFFFAOYSA-N
XLogP1.63
TPSA77.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.72
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(1-ethylpyrazol-4-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride?
The IUPAC name of [5-(1-ethylpyrazol-4-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride (CID 165479252) is [5-(1-ethylpyrazol-4-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride.
What is the SMILES notation for [5-(1-ethylpyrazol-4-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride?
The canonical SMILES for [5-(1-ethylpyrazol-4-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride is CCn1cc(-c2cc(CS(=O)(=O)Cl)no2)cn1.
What is the InChIKey of [5-(1-ethylpyrazol-4-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride?
The InChIKey is REGFGYFRYSJSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O3S/c1-2-13-5-7(4-11-13)9-3-8(12-16-9)6-17(10,14)15/h3-5H,2,6H2,1H3.
What are the key properties of [5-(1-ethylpyrazol-4-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride?
[5-(1-ethylpyrazol-4-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride has a molecular weight of 275.72 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-ethylpyrazol-4-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride is sourced from PubChem (CID 165479252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).