2-(3-methoxy-4-pyridin-2-ylphenyl)-[1,3]oxazolo[4,5-b]pyridine

C18H13N3O2 — CID 10286338

IUPAC2-(3-methoxy-4-pyridin-2-ylphenyl)-[1,3]oxazolo[4,5-b]pyridine
SMILESCOc1cc(-c2nc3ncccc3o2)ccc1-c1ccccn1
InChIInChI=1S/C18H13N3O2/c1-22-16-11-12(7-8-13(16)14-5-2-3-9-19-14)18-21-17-15(23-18)6-4-10-20-17/h2-11H,1H3
InChIKeyOMFGERNEFPPVJL-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.96
Rot. Bonds3

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

2-(3-methoxy-4-pyridin-2-ylphenyl)-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 10286338) has the molecular formula C18H13N3O2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-(3-methoxy-4-pyridin-2-ylphenyl)-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(3-methoxy-4-pyridin-2-ylphenyl)-[1,3]oxazolo[4,5-b]pyridine
PubChem CID10286338
Molecular FormulaC18H13N3O2
Molecular Weight303.32 g/mol
Exact Mass303.10
IUPAC Name2-(3-methoxy-4-pyridin-2-ylphenyl)-[1,3]oxazolo[4,5-b]pyridine
SMILESCOc1cc(-c2nc3ncccc3o2)ccc1-c1ccccn1
InChIInChI=1S/C18H13N3O2/c1-22-16-11-12(7-8-13(16)14-5-2-3-9-19-14)18-21-17-15(23-18)6-4-10-20-17/h2-11H,1H3
InChIKeyOMFGERNEFPPVJL-UHFFFAOYSA-N
XLogP3.96
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-pyridin-2-ylphenyl)-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 2-(3-methoxy-4-pyridin-2-ylphenyl)-[1,3]oxazolo[4,5-b]pyridine (CID 10286338) is 2-(3-methoxy-4-pyridin-2-ylphenyl)-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 2-(3-methoxy-4-pyridin-2-ylphenyl)-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 2-(3-methoxy-4-pyridin-2-ylphenyl)-[1,3]oxazolo[4,5-b]pyridine is COc1cc(-c2nc3ncccc3o2)ccc1-c1ccccn1.
What is the InChIKey of 2-(3-methoxy-4-pyridin-2-ylphenyl)-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is OMFGERNEFPPVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2/c1-22-16-11-12(7-8-13(16)14-5-2-3-9-19-14)18-21-17-15(23-18)6-4-10-20-17/h2-11H,1H3.
What are the key properties of 2-(3-methoxy-4-pyridin-2-ylphenyl)-[1,3]oxazolo[4,5-b]pyridine?
2-(3-methoxy-4-pyridin-2-ylphenyl)-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 303.32 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-pyridin-2-ylphenyl)-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 10286338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).