3-(5-chloro-6-methylsulfonyl-3-pyridinyl)-5-ethyl-1,2-oxazole

C11H11ClN2O3S — CID 23288268

IUPAC3-(5-chloro-6-methylsulfonyl-3-pyridinyl)-5-ethyl-1,2-oxazole
SMILESCCc1cc(-c2cnc(S(C)(=O)=O)c(Cl)c2)no1
InChIInChI=1S/C11H11ClN2O3S/c1-3-8-5-10(14-17-8)7-4-9(12)11(13-6-7)18(2,15)16/h4-6H,3H2,1-2H3
InChIKeyAKUUMPGYCZZKBT-UHFFFAOYSA-N
MW286.74 g/mol
LogP2.36
Rot. Bonds3

About 3-(5-chloro-6-methylsulfonyl-3-pyridinyl)-5-ethyl-1,2-oxazole

3-(5-chloro-6-methylsulfonyl-3-pyridinyl)-5-ethyl-1,2-oxazole (PubChem CID 23288268) has the molecular formula C11H11ClN2O3S and a molecular weight of 286.74 g/mol. Its IUPAC name is 3-(5-chloro-6-methylsulfonyl-3-pyridinyl)-5-ethyl-1,2-oxazole.

Molecular Properties

Compound Name3-(5-chloro-6-methylsulfonyl-3-pyridinyl)-5-ethyl-1,2-oxazole
PubChem CID23288268
Molecular FormulaC11H11ClN2O3S
Molecular Weight286.74 g/mol
Exact Mass286.02
IUPAC Name3-(5-chloro-6-methylsulfonyl-3-pyridinyl)-5-ethyl-1,2-oxazole
SMILESCCc1cc(-c2cnc(S(C)(=O)=O)c(Cl)c2)no1
InChIInChI=1S/C11H11ClN2O3S/c1-3-8-5-10(14-17-8)7-4-9(12)11(13-6-7)18(2,15)16/h4-6H,3H2,1-2H3
InChIKeyAKUUMPGYCZZKBT-UHFFFAOYSA-N
XLogP2.36
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.74
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-6-methylsulfonyl-3-pyridinyl)-5-ethyl-1,2-oxazole?
The IUPAC name of 3-(5-chloro-6-methylsulfonyl-3-pyridinyl)-5-ethyl-1,2-oxazole (CID 23288268) is 3-(5-chloro-6-methylsulfonyl-3-pyridinyl)-5-ethyl-1,2-oxazole.
What is the SMILES notation for 3-(5-chloro-6-methylsulfonyl-3-pyridinyl)-5-ethyl-1,2-oxazole?
The canonical SMILES for 3-(5-chloro-6-methylsulfonyl-3-pyridinyl)-5-ethyl-1,2-oxazole is CCc1cc(-c2cnc(S(C)(=O)=O)c(Cl)c2)no1.
What is the InChIKey of 3-(5-chloro-6-methylsulfonyl-3-pyridinyl)-5-ethyl-1,2-oxazole?
The InChIKey is AKUUMPGYCZZKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3S/c1-3-8-5-10(14-17-8)7-4-9(12)11(13-6-7)18(2,15)16/h4-6H,3H2,1-2H3.
What are the key properties of 3-(5-chloro-6-methylsulfonyl-3-pyridinyl)-5-ethyl-1,2-oxazole?
3-(5-chloro-6-methylsulfonyl-3-pyridinyl)-5-ethyl-1,2-oxazole has a molecular weight of 286.74 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-6-methylsulfonyl-3-pyridinyl)-5-ethyl-1,2-oxazole is sourced from PubChem (CID 23288268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).