6-(1,3-benzoxazol-2-yl)-1-pyridin-2-ylpyridin-2-one

C17H11N3O2 — CID 122229560

IUPAC6-(1,3-benzoxazol-2-yl)-1-pyridin-2-ylpyridin-2-one
SMILESO=c1cccc(-c2nc3ccccc3o2)n1-c1ccccn1
InChIInChI=1S/C17H11N3O2/c21-16-10-5-7-13(20(16)15-9-3-4-11-18-15)17-19-12-6-1-2-8-14(12)22-17/h1-11H
InChIKeyNGCUEKIYZXBMOG-UHFFFAOYSA-N
MW289.29 g/mol
LogP3.04
Rot. Bonds2

About 6-(1,3-benzoxazol-2-yl)-1-pyridin-2-ylpyridin-2-one

6-(1,3-benzoxazol-2-yl)-1-pyridin-2-ylpyridin-2-one (PubChem CID 122229560) has the molecular formula C17H11N3O2 and a molecular weight of 289.29 g/mol. Its IUPAC name is 6-(1,3-benzoxazol-2-yl)-1-pyridin-2-ylpyridin-2-one.

Molecular Properties

Compound Name6-(1,3-benzoxazol-2-yl)-1-pyridin-2-ylpyridin-2-one
PubChem CID122229560
Molecular FormulaC17H11N3O2
Molecular Weight289.29 g/mol
Exact Mass289.09
IUPAC Name6-(1,3-benzoxazol-2-yl)-1-pyridin-2-ylpyridin-2-one
SMILESO=c1cccc(-c2nc3ccccc3o2)n1-c1ccccn1
InChIInChI=1S/C17H11N3O2/c21-16-10-5-7-13(20(16)15-9-3-4-11-18-15)17-19-12-6-1-2-8-14(12)22-17/h1-11H
InChIKeyNGCUEKIYZXBMOG-UHFFFAOYSA-N
XLogP3.04
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzoxazol-2-yl)-1-pyridin-2-ylpyridin-2-one?
The IUPAC name of 6-(1,3-benzoxazol-2-yl)-1-pyridin-2-ylpyridin-2-one (CID 122229560) is 6-(1,3-benzoxazol-2-yl)-1-pyridin-2-ylpyridin-2-one.
What is the SMILES notation for 6-(1,3-benzoxazol-2-yl)-1-pyridin-2-ylpyridin-2-one?
The canonical SMILES for 6-(1,3-benzoxazol-2-yl)-1-pyridin-2-ylpyridin-2-one is O=c1cccc(-c2nc3ccccc3o2)n1-c1ccccn1.
What is the InChIKey of 6-(1,3-benzoxazol-2-yl)-1-pyridin-2-ylpyridin-2-one?
The InChIKey is NGCUEKIYZXBMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O2/c21-16-10-5-7-13(20(16)15-9-3-4-11-18-15)17-19-12-6-1-2-8-14(12)22-17/h1-11H.
What are the key properties of 6-(1,3-benzoxazol-2-yl)-1-pyridin-2-ylpyridin-2-one?
6-(1,3-benzoxazol-2-yl)-1-pyridin-2-ylpyridin-2-one has a molecular weight of 289.29 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzoxazol-2-yl)-1-pyridin-2-ylpyridin-2-one is sourced from PubChem (CID 122229560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).