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

C12H7ClN2O3S — CID 71757017

IUPAC3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnc2onc(-c3ccccc3)c2c1
InChIInChI=1S/C12H7ClN2O3S/c13-19(16,17)9-6-10-11(8-4-2-1-3-5-8)15-18-12(10)14-7-9/h1-7H
InChIKeyRMENGPPTHWFIPN-UHFFFAOYSA-N
MW294.72 g/mol
LogP2.82
Rot. Bonds2

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

3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride (PubChem CID 71757017) has the molecular formula C12H7ClN2O3S and a molecular weight of 294.72 g/mol. Its IUPAC name is 3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride.

Molecular Properties

Compound Name3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride
PubChem CID71757017
Molecular FormulaC12H7ClN2O3S
Molecular Weight294.72 g/mol
Exact Mass293.99
IUPAC Name3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnc2onc(-c3ccccc3)c2c1
InChIInChI=1S/C12H7ClN2O3S/c13-19(16,17)9-6-10-11(8-4-2-1-3-5-8)15-18-12(10)14-7-9/h1-7H
InChIKeyRMENGPPTHWFIPN-UHFFFAOYSA-N
XLogP2.82
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.72
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride?
The IUPAC name of 3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride (CID 71757017) is 3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride.
What is the SMILES notation for 3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride?
The canonical SMILES for 3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride is O=S(=O)(Cl)c1cnc2onc(-c3ccccc3)c2c1.
What is the InChIKey of 3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride?
The InChIKey is RMENGPPTHWFIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2O3S/c13-19(16,17)9-6-10-11(8-4-2-1-3-5-8)15-18-12(10)14-7-9/h1-7H.
What are the key properties of 3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride?
3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride has a molecular weight of 294.72 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride is sourced from PubChem (CID 71757017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).