5-bromo-4-methoxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-one

C11H11BrN2O3 — CID 84593353

IUPAC5-bromo-4-methoxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-one
SMILESCOc1cc(=O)n(Cc2cc(C)on2)cc1Br
InChIInChI=1S/C11H11BrN2O3/c1-7-3-8(13-17-7)5-14-6-9(12)10(16-2)4-11(14)15/h3-4,6H,5H2,1-2H3
InChIKeyDUQONWYAJRFCIA-UHFFFAOYSA-N
MW299.12 g/mol
LogP1.96
Rot. Bonds3

About 5-bromo-4-methoxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-one

5-bromo-4-methoxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-one (PubChem CID 84593353) has the molecular formula C11H11BrN2O3 and a molecular weight of 299.12 g/mol. Its IUPAC name is 5-bromo-4-methoxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-4-methoxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-one
PubChem CID84593353
Molecular FormulaC11H11BrN2O3
Molecular Weight299.12 g/mol
Exact Mass298.00
IUPAC Name5-bromo-4-methoxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-one
SMILESCOc1cc(=O)n(Cc2cc(C)on2)cc1Br
InChIInChI=1S/C11H11BrN2O3/c1-7-3-8(13-17-7)5-14-6-9(12)10(16-2)4-11(14)15/h3-4,6H,5H2,1-2H3
InChIKeyDUQONWYAJRFCIA-UHFFFAOYSA-N
XLogP1.96
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.12
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methoxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-one?
The IUPAC name of 5-bromo-4-methoxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-one (CID 84593353) is 5-bromo-4-methoxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-4-methoxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-one?
The canonical SMILES for 5-bromo-4-methoxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-one is COc1cc(=O)n(Cc2cc(C)on2)cc1Br.
What is the InChIKey of 5-bromo-4-methoxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-one?
The InChIKey is DUQONWYAJRFCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O3/c1-7-3-8(13-17-7)5-14-6-9(12)10(16-2)4-11(14)15/h3-4,6H,5H2,1-2H3.
What are the key properties of 5-bromo-4-methoxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-one?
5-bromo-4-methoxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-one has a molecular weight of 299.12 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methoxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-one is sourced from PubChem (CID 84593353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).