5-chloro-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine

C10H10ClN3O2 — CID 118224361

IUPAC5-chloro-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine
SMILESClc1ccc2oc(N3CCOCC3)nc2n1
InChIInChI=1S/C10H10ClN3O2/c11-8-2-1-7-9(12-8)13-10(16-7)14-3-5-15-6-4-14/h1-2H,3-6H2
InChIKeySTFICNVJTLVTRM-UHFFFAOYSA-N
MW239.66 g/mol
LogP1.71
Rot. Bonds1

About 5-chloro-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine

5-chloro-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 118224361) has the molecular formula C10H10ClN3O2 and a molecular weight of 239.66 g/mol. Its IUPAC name is 5-chloro-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name5-chloro-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine
PubChem CID118224361
Molecular FormulaC10H10ClN3O2
Molecular Weight239.66 g/mol
Exact Mass239.05
IUPAC Name5-chloro-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine
SMILESClc1ccc2oc(N3CCOCC3)nc2n1
InChIInChI=1S/C10H10ClN3O2/c11-8-2-1-7-9(12-8)13-10(16-7)14-3-5-15-6-4-14/h1-2H,3-6H2
InChIKeySTFICNVJTLVTRM-UHFFFAOYSA-N
XLogP1.71
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 5-chloro-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine (CID 118224361) is 5-chloro-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 5-chloro-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 5-chloro-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine is Clc1ccc2oc(N3CCOCC3)nc2n1.
What is the InChIKey of 5-chloro-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is STFICNVJTLVTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2/c11-8-2-1-7-9(12-8)13-10(16-7)14-3-5-15-6-4-14/h1-2H,3-6H2.
What are the key properties of 5-chloro-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine?
5-chloro-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 239.66 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 118224361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).