2-(2-methoxy-5-methyl-3-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine

C13H11N3O2 — CID 89434382

IUPAC2-(2-methoxy-5-methyl-3-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine
SMILESCOc1ncc(C)cc1-c1nc2ncccc2o1
InChIInChI=1S/C13H11N3O2/c1-8-6-9(12(17-2)15-7-8)13-16-11-10(18-13)4-3-5-14-11/h3-7H,1-2H3
InChIKeyHOOKBXZJFSEMPT-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.60
Rot. Bonds2

About 2-(2-methoxy-5-methyl-3-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine

2-(2-methoxy-5-methyl-3-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 89434382) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-(2-methoxy-5-methyl-3-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-methoxy-5-methyl-3-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine
PubChem CID89434382
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name2-(2-methoxy-5-methyl-3-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine
SMILESCOc1ncc(C)cc1-c1nc2ncccc2o1
InChIInChI=1S/C13H11N3O2/c1-8-6-9(12(17-2)15-7-8)13-16-11-10(18-13)4-3-5-14-11/h3-7H,1-2H3
InChIKeyHOOKBXZJFSEMPT-UHFFFAOYSA-N
XLogP2.60
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methyl-3-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 2-(2-methoxy-5-methyl-3-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine (CID 89434382) is 2-(2-methoxy-5-methyl-3-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-methoxy-5-methyl-3-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 2-(2-methoxy-5-methyl-3-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine is COc1ncc(C)cc1-c1nc2ncccc2o1.
What is the InChIKey of 2-(2-methoxy-5-methyl-3-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is HOOKBXZJFSEMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-8-6-9(12(17-2)15-7-8)13-16-11-10(18-13)4-3-5-14-11/h3-7H,1-2H3.
What are the key properties of 2-(2-methoxy-5-methyl-3-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine?
2-(2-methoxy-5-methyl-3-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 241.25 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methyl-3-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 89434382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).