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

C8H7FN2O3S — CID 165460191

IUPAC3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl fluoride
SMILESCCc1noc2ncc(S(=O)(=O)F)cc12
InChIInChI=1S/C8H7FN2O3S/c1-2-7-6-3-5(15(9,12)13)4-10-8(6)14-11-7/h3-4H,2H2,1H3
InChIKeyMONKCSQNPUZSOG-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.44
Rot. Bonds2

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

3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl fluoride (PubChem CID 165460191) has the molecular formula C8H7FN2O3S and a molecular weight of 230.22 g/mol. Its IUPAC name is 3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl fluoride.

Molecular Properties

Compound Name3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl fluoride
PubChem CID165460191
Molecular FormulaC8H7FN2O3S
Molecular Weight230.22 g/mol
Exact Mass230.02
IUPAC Name3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl fluoride
SMILESCCc1noc2ncc(S(=O)(=O)F)cc12
InChIInChI=1S/C8H7FN2O3S/c1-2-7-6-3-5(15(9,12)13)4-10-8(6)14-11-7/h3-4H,2H2,1H3
InChIKeyMONKCSQNPUZSOG-UHFFFAOYSA-N
XLogP1.44
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
CID 120874415
N-(2-amino-2-ethylbutyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride
CID 120875459
1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-N-methylpiperidin-4-amine
CID 120875109
1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine
CID 167746549
3-ethyl-N-(6-oxo-1H-pyridazin-3-yl)-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
CID 119051525
3-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
CID 75522790
1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-3,3-dimethylpiperidin-4-amine
CID 120877024
3-ethyl-N-piperidin-4-yl-N-propyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
CID 120875600
[1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]piperidin-2-yl]methanamine;hydrochloride
CID 120874752
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride
CID 120876503
3-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride
CID 120877205
[1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-4-methoxypiperidin-2-yl]methanamine
CID 120876154

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl fluoride?
The IUPAC name of 3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl fluoride (CID 165460191) is 3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl fluoride.
What is the SMILES notation for 3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl fluoride?
The canonical SMILES for 3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl fluoride is CCc1noc2ncc(S(=O)(=O)F)cc12.
What is the InChIKey of 3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl fluoride?
The InChIKey is MONKCSQNPUZSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O3S/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 fluoride?
3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl fluoride has a molecular weight of 230.22 g/mol, XLogP of 1.44, 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 fluoride is sourced from PubChem (CID 165460191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).