[5-(5-fluoro-2-pyridinyl)-4-methyl-1,2-oxazol-3-yl]methanesulfonyl chloride

C10H8ClFN2O3S — CID 165481105

IUPAC[5-(5-fluoro-2-pyridinyl)-4-methyl-1,2-oxazol-3-yl]methanesulfonyl chloride
SMILESCc1c(CS(=O)(=O)Cl)noc1-c1ccc(F)cn1
InChIInChI=1S/C10H8ClFN2O3S/c1-6-9(5-18(11,15)16)14-17-10(6)8-3-2-7(12)4-13-8/h2-4H,5H2,1H3
InChIKeyCZWDURSYQDIQNX-UHFFFAOYSA-N
MW290.70 g/mol
LogP2.25
Rot. Bonds3

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

[5-(5-fluoro-2-pyridinyl)-4-methyl-1,2-oxazol-3-yl]methanesulfonyl chloride (PubChem CID 165481105) has the molecular formula C10H8ClFN2O3S and a molecular weight of 290.70 g/mol. Its IUPAC name is [5-(5-fluoro-2-pyridinyl)-4-methyl-1,2-oxazol-3-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[5-(5-fluoro-2-pyridinyl)-4-methyl-1,2-oxazol-3-yl]methanesulfonyl chloride
PubChem CID165481105
Molecular FormulaC10H8ClFN2O3S
Molecular Weight290.70 g/mol
Exact Mass289.99
IUPAC Name[5-(5-fluoro-2-pyridinyl)-4-methyl-1,2-oxazol-3-yl]methanesulfonyl chloride
SMILESCc1c(CS(=O)(=O)Cl)noc1-c1ccc(F)cn1
InChIInChI=1S/C10H8ClFN2O3S/c1-6-9(5-18(11,15)16)14-17-10(6)8-3-2-7(12)4-13-8/h2-4H,5H2,1H3
InChIKeyCZWDURSYQDIQNX-UHFFFAOYSA-N
XLogP2.25
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.70
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(5-fluoro-2-pyridinyl)-4-methyl-1,2-oxazol-3-yl]methanesulfonyl chloride?
The IUPAC name of [5-(5-fluoro-2-pyridinyl)-4-methyl-1,2-oxazol-3-yl]methanesulfonyl chloride (CID 165481105) is [5-(5-fluoro-2-pyridinyl)-4-methyl-1,2-oxazol-3-yl]methanesulfonyl chloride.
What is the SMILES notation for [5-(5-fluoro-2-pyridinyl)-4-methyl-1,2-oxazol-3-yl]methanesulfonyl chloride?
The canonical SMILES for [5-(5-fluoro-2-pyridinyl)-4-methyl-1,2-oxazol-3-yl]methanesulfonyl chloride is Cc1c(CS(=O)(=O)Cl)noc1-c1ccc(F)cn1.
What is the InChIKey of [5-(5-fluoro-2-pyridinyl)-4-methyl-1,2-oxazol-3-yl]methanesulfonyl chloride?
The InChIKey is CZWDURSYQDIQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2O3S/c1-6-9(5-18(11,15)16)14-17-10(6)8-3-2-7(12)4-13-8/h2-4H,5H2,1H3.
What are the key properties of [5-(5-fluoro-2-pyridinyl)-4-methyl-1,2-oxazol-3-yl]methanesulfonyl chloride?
[5-(5-fluoro-2-pyridinyl)-4-methyl-1,2-oxazol-3-yl]methanesulfonyl chloride has a molecular weight of 290.70 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-fluoro-2-pyridinyl)-4-methyl-1,2-oxazol-3-yl]methanesulfonyl chloride is sourced from PubChem (CID 165481105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).