5-bromo-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one

C9H7BrN2O2 — CID 60673893

IUPAC5-bromo-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one
SMILESO=c1ccc(Br)cn1Cc1ccno1
InChIInChI=1S/C9H7BrN2O2/c10-7-1-2-9(13)12(5-7)6-8-3-4-11-14-8/h1-5H,6H2
InChIKeyKRDBBZOSNQEUQH-UHFFFAOYSA-N
MW255.07 g/mol
LogP1.65
Rot. Bonds2

About 5-bromo-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one

5-bromo-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one (PubChem CID 60673893) has the molecular formula C9H7BrN2O2 and a molecular weight of 255.07 g/mol. Its IUPAC name is 5-bromo-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one
PubChem CID60673893
Molecular FormulaC9H7BrN2O2
Molecular Weight255.07 g/mol
Exact Mass253.97
IUPAC Name5-bromo-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one
SMILESO=c1ccc(Br)cn1Cc1ccno1
InChIInChI=1S/C9H7BrN2O2/c10-7-1-2-9(13)12(5-7)6-8-3-4-11-14-8/h1-5H,6H2
InChIKeyKRDBBZOSNQEUQH-UHFFFAOYSA-N
XLogP1.65
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.07
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one?
The IUPAC name of 5-bromo-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one (CID 60673893) is 5-bromo-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one.
What is the SMILES notation for 5-bromo-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one?
The canonical SMILES for 5-bromo-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one is O=c1ccc(Br)cn1Cc1ccno1.
What is the InChIKey of 5-bromo-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one?
The InChIKey is KRDBBZOSNQEUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O2/c10-7-1-2-9(13)12(5-7)6-8-3-4-11-14-8/h1-5H,6H2.
What are the key properties of 5-bromo-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one?
5-bromo-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one has a molecular weight of 255.07 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one is sourced from PubChem (CID 60673893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).