6-bromo-3-(2-pyridin-2-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one

C13H10BrN3O2 — CID 15379435

IUPAC6-bromo-3-(2-pyridin-2-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESO=c1oc2cc(Br)cnc2n1CCc1ccccn1
InChIInChI=1S/C13H10BrN3O2/c14-9-7-11-12(16-8-9)17(13(18)19-11)6-4-10-3-1-2-5-15-10/h1-3,5,7-8H,4,6H2
InChIKeyNGIQVTWGGSZMRP-UHFFFAOYSA-N
MW320.15 g/mol
LogP2.39
Rot. Bonds3

About 6-bromo-3-(2-pyridin-2-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one

6-bromo-3-(2-pyridin-2-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 15379435) has the molecular formula C13H10BrN3O2 and a molecular weight of 320.15 g/mol. Its IUPAC name is 6-bromo-3-(2-pyridin-2-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-bromo-3-(2-pyridin-2-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID15379435
Molecular FormulaC13H10BrN3O2
Molecular Weight320.15 g/mol
Exact Mass319.00
IUPAC Name6-bromo-3-(2-pyridin-2-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESO=c1oc2cc(Br)cnc2n1CCc1ccccn1
InChIInChI=1S/C13H10BrN3O2/c14-9-7-11-12(16-8-9)17(13(18)19-11)6-4-10-3-1-2-5-15-10/h1-3,5,7-8H,4,6H2
InChIKeyNGIQVTWGGSZMRP-UHFFFAOYSA-N
XLogP2.39
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.15
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(2-pyridin-2-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of 6-bromo-3-(2-pyridin-2-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 15379435) is 6-bromo-3-(2-pyridin-2-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-bromo-3-(2-pyridin-2-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-bromo-3-(2-pyridin-2-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one is O=c1oc2cc(Br)cnc2n1CCc1ccccn1.
What is the InChIKey of 6-bromo-3-(2-pyridin-2-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is NGIQVTWGGSZMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O2/c14-9-7-11-12(16-8-9)17(13(18)19-11)6-4-10-3-1-2-5-15-10/h1-3,5,7-8H,4,6H2.
What are the key properties of 6-bromo-3-(2-pyridin-2-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one?
6-bromo-3-(2-pyridin-2-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 320.15 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(2-pyridin-2-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 15379435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).