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

C11H14ClN3O3S — CID 165480238

IUPAC[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride
SMILESCCn1nc(C)c(-c2cc(CS(=O)(=O)Cl)no2)c1C
InChIInChI=1S/C11H14ClN3O3S/c1-4-15-8(3)11(7(2)13-15)10-5-9(14-18-10)6-19(12,16)17/h5H,4,6H2,1-3H3
InChIKeyGLNVVGYKQZYSOU-UHFFFAOYSA-N
MW303.77 g/mol
LogP2.24
Rot. Bonds4

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

[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride (PubChem CID 165480238) has the molecular formula C11H14ClN3O3S and a molecular weight of 303.77 g/mol. Its IUPAC name is [5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride
PubChem CID165480238
Molecular FormulaC11H14ClN3O3S
Molecular Weight303.77 g/mol
Exact Mass303.04
IUPAC Name[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride
SMILESCCn1nc(C)c(-c2cc(CS(=O)(=O)Cl)no2)c1C
InChIInChI=1S/C11H14ClN3O3S/c1-4-15-8(3)11(7(2)13-15)10-5-9(14-18-10)6-19(12,16)17/h5H,4,6H2,1-3H3
InChIKeyGLNVVGYKQZYSOU-UHFFFAOYSA-N
XLogP2.24
TPSA77.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride?
The IUPAC name of [5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride (CID 165480238) is [5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride.
What is the SMILES notation for [5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride?
The canonical SMILES for [5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride is CCn1nc(C)c(-c2cc(CS(=O)(=O)Cl)no2)c1C.
What is the InChIKey of [5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride?
The InChIKey is GLNVVGYKQZYSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3S/c1-4-15-8(3)11(7(2)13-15)10-5-9(14-18-10)6-19(12,16)17/h5H,4,6H2,1-3H3.
What are the key properties of [5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride?
[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride has a molecular weight of 303.77 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride is sourced from PubChem (CID 165480238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).