3-bromo-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-one

C10H9BrN2O2 — CID 114760853

IUPAC3-bromo-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-one
SMILESCc1cc(Cn2cccc(Br)c2=O)no1
InChIInChI=1S/C10H9BrN2O2/c1-7-5-8(12-15-7)6-13-4-2-3-9(11)10(13)14/h2-5H,6H2,1H3
InChIKeyOQFMMXGEPJCLTK-UHFFFAOYSA-N
MW269.10 g/mol
LogP1.96
Rot. Bonds2

About 3-bromo-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-one

3-bromo-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-one (PubChem CID 114760853) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is 3-bromo-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-one
PubChem CID114760853
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Name3-bromo-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-one
SMILESCc1cc(Cn2cccc(Br)c2=O)no1
InChIInChI=1S/C10H9BrN2O2/c1-7-5-8(12-15-7)6-13-4-2-3-9(11)10(13)14/h2-5H,6H2,1H3
InChIKeyOQFMMXGEPJCLTK-UHFFFAOYSA-N
XLogP1.96
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-one?
The IUPAC name of 3-bromo-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-one (CID 114760853) is 3-bromo-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-one.
What is the SMILES notation for 3-bromo-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-one?
The canonical SMILES for 3-bromo-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-one is Cc1cc(Cn2cccc(Br)c2=O)no1.
What is the InChIKey of 3-bromo-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-one?
The InChIKey is OQFMMXGEPJCLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c1-7-5-8(12-15-7)6-13-4-2-3-9(11)10(13)14/h2-5H,6H2,1H3.
What are the key properties of 3-bromo-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-one?
3-bromo-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-one has a molecular weight of 269.10 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-one is sourced from PubChem (CID 114760853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).