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

C11H12ClN3O3S — CID 165479922

IUPAC[5-(1-cyclobutylpyrazol-4-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1cc(-c2cnn(C3CCC3)c2)on1
InChIInChI=1S/C11H12ClN3O3S/c12-19(16,17)7-9-4-11(18-14-9)8-5-13-15(6-8)10-2-1-3-10/h4-6,10H,1-3,7H2
InChIKeyOEJKURQYAVGQST-UHFFFAOYSA-N
MW301.76 g/mol
LogP2.33
Rot. Bonds4

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

[5-(1-cyclobutylpyrazol-4-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride (PubChem CID 165479922) has the molecular formula C11H12ClN3O3S and a molecular weight of 301.76 g/mol. Its IUPAC name is [5-(1-cyclobutylpyrazol-4-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[5-(1-cyclobutylpyrazol-4-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride
PubChem CID165479922
Molecular FormulaC11H12ClN3O3S
Molecular Weight301.76 g/mol
Exact Mass301.03
IUPAC Name[5-(1-cyclobutylpyrazol-4-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1cc(-c2cnn(C3CCC3)c2)on1
InChIInChI=1S/C11H12ClN3O3S/c12-19(16,17)7-9-4-11(18-14-9)8-5-13-15(6-8)10-2-1-3-10/h4-6,10H,1-3,7H2
InChIKeyOEJKURQYAVGQST-UHFFFAOYSA-N
XLogP2.33
TPSA77.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.76
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(1-cyclobutylpyrazol-4-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride?
The IUPAC name of [5-(1-cyclobutylpyrazol-4-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride (CID 165479922) is [5-(1-cyclobutylpyrazol-4-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride.
What is the SMILES notation for [5-(1-cyclobutylpyrazol-4-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride?
The canonical SMILES for [5-(1-cyclobutylpyrazol-4-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride is O=S(=O)(Cl)Cc1cc(-c2cnn(C3CCC3)c2)on1.
What is the InChIKey of [5-(1-cyclobutylpyrazol-4-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride?
The InChIKey is OEJKURQYAVGQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O3S/c12-19(16,17)7-9-4-11(18-14-9)8-5-13-15(6-8)10-2-1-3-10/h4-6,10H,1-3,7H2.
What are the key properties of [5-(1-cyclobutylpyrazol-4-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride?
[5-(1-cyclobutylpyrazol-4-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride has a molecular weight of 301.76 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-cyclobutylpyrazol-4-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride is sourced from PubChem (CID 165479922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).