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

C9H7ClN2O3S — CID 71757015

IUPAC3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnc2onc(C3CC3)c2c1
InChIInChI=1S/C9H7ClN2O3S/c10-16(13,14)6-3-7-8(5-1-2-5)12-15-9(7)11-4-6/h3-5H,1-2H2
InChIKeyUOJGNCVZXPULDH-UHFFFAOYSA-N
MW258.69 g/mol
LogP2.03
Rot. Bonds2

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

3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride (PubChem CID 71757015) has the molecular formula C9H7ClN2O3S and a molecular weight of 258.69 g/mol. Its IUPAC name is 3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride.

Molecular Properties

Compound Name3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride
PubChem CID71757015
Molecular FormulaC9H7ClN2O3S
Molecular Weight258.69 g/mol
Exact Mass257.99
IUPAC Name3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnc2onc(C3CC3)c2c1
InChIInChI=1S/C9H7ClN2O3S/c10-16(13,14)6-3-7-8(5-1-2-5)12-15-9(7)11-4-6/h3-5H,1-2H2
InChIKeyUOJGNCVZXPULDH-UHFFFAOYSA-N
XLogP2.03
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.69
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride?
The IUPAC name of 3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride (CID 71757015) is 3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride.
What is the SMILES notation for 3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride?
The canonical SMILES for 3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride is O=S(=O)(Cl)c1cnc2onc(C3CC3)c2c1.
What is the InChIKey of 3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride?
The InChIKey is UOJGNCVZXPULDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O3S/c10-16(13,14)6-3-7-8(5-1-2-5)12-15-9(7)11-4-6/h3-5H,1-2H2.
What are the key properties of 3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride?
3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride has a molecular weight of 258.69 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride is sourced from PubChem (CID 71757015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).