3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride

C8H7ClN2O3S — CID 71757016

IUPAC3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride
SMILESCCc1noc2ncc(S(=O)(=O)Cl)cc12
InChIInChI=1S/C8H7ClN2O3S/c1-2-7-6-3-5(15(9,12)13)4-10-8(6)14-11-7/h3-4H,2H2,1H3
InChIKeyMKTIKWLANFECEW-UHFFFAOYSA-N
MW246.67 g/mol
LogP1.71
Rot. Bonds2

About 3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride

3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride (PubChem CID 71757016) has the molecular formula C8H7ClN2O3S and a molecular weight of 246.67 g/mol. Its IUPAC name is 3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride.

Molecular Properties

Compound Name3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride
PubChem CID71757016
Molecular FormulaC8H7ClN2O3S
Molecular Weight246.67 g/mol
Exact Mass245.99
IUPAC Name3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride
SMILESCCc1noc2ncc(S(=O)(=O)Cl)cc12
InChIInChI=1S/C8H7ClN2O3S/c1-2-7-6-3-5(15(9,12)13)4-10-8(6)14-11-7/h3-4H,2H2,1H3
InChIKeyMKTIKWLANFECEW-UHFFFAOYSA-N
XLogP1.71
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.67
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride?
The IUPAC name of 3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride (CID 71757016) is 3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride.
What is the SMILES notation for 3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride?
The canonical SMILES for 3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride is CCc1noc2ncc(S(=O)(=O)Cl)cc12.
What is the InChIKey of 3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride?
The InChIKey is MKTIKWLANFECEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O3S/c1-2-7-6-3-5(15(9,12)13)4-10-8(6)14-11-7/h3-4H,2H2,1H3.
What are the key properties of 3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride?
3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride has a molecular weight of 246.67 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride is sourced from PubChem (CID 71757016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).