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

C7H5ClN2O3S — CID 47003044

IUPAC3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride
SMILESCc1noc2ncc(S(=O)(=O)Cl)cc12
InChIInChI=1S/C7H5ClN2O3S/c1-4-6-2-5(14(8,11)12)3-9-7(6)13-10-4/h2-3H,1H3
InChIKeyJGKTYJARBKWGGM-UHFFFAOYSA-N
MW232.65 g/mol
LogP1.46
Rot. Bonds1

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

3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride (PubChem CID 47003044) has the molecular formula C7H5ClN2O3S and a molecular weight of 232.65 g/mol. Its IUPAC name is 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride.

Molecular Properties

Compound Name3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride
PubChem CID47003044
Molecular FormulaC7H5ClN2O3S
Molecular Weight232.65 g/mol
Exact Mass231.97
IUPAC Name3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride
SMILESCc1noc2ncc(S(=O)(=O)Cl)cc12
InChIInChI=1S/C7H5ClN2O3S/c1-4-6-2-5(14(8,11)12)3-9-7(6)13-10-4/h2-3H,1H3
InChIKeyJGKTYJARBKWGGM-UHFFFAOYSA-N
XLogP1.46
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.65
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-Methyl-[1,2]oxazolo[5,4-b]pyridin-5-amine
CID 25247887
N-[(1,1-dioxothiolan-3-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 53497821
5-(4,4-Dimethylazepan-1-yl)sulfonyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine
CID 71997371
3-Methyl-5-[(4-propyl-1,4-diazepan-1-yl)sulfonyl]-[1,2]oxazolo[5,4-b]pyridine
CID 72008769
5-[(4-Ethyl-1,4-diazepan-1-yl)sulfonyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine
CID 72023087
5-(3-Ethylpiperidin-1-yl)sulfonyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine
CID 72024685
3-methyl-N-(5-methyl-1,2-oxazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
CID 72108899
3-Methylisoxazolo(5,4-b)pyridine
CID 584212
5-Bromo-3-methyl-[1,2]oxazolo[5,4-b]pyridine
CID 12256052
3-Cyclopropyl-(1,2)oxazolo(5,4-b)pyridine-5-sulfonyl chloride
CID 71757015
3-Ethyl-(1,2)oxazolo(5,4-b)pyridine-5-sulfonyl chloride
CID 71757016
3-Phenyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride
CID 71757017

Frequently Asked Questions

What is the IUPAC name of 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride?
The IUPAC name of 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride (CID 47003044) is 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride.
What is the SMILES notation for 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride?
The canonical SMILES for 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride is Cc1noc2ncc(S(=O)(=O)Cl)cc12.
What is the InChIKey of 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride?
The InChIKey is JGKTYJARBKWGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O3S/c1-4-6-2-5(14(8,11)12)3-9-7(6)13-10-4/h2-3H,1H3.
What are the key properties of 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride?
3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride has a molecular weight of 232.65 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride is sourced from PubChem (CID 47003044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).