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

C13H9BrN2O3 — CID 26685597

IUPAC5-bromo-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyridin-2-one
SMILESO=c1ccc(Br)cn1Cc1cc(-c2ccco2)on1
InChIInChI=1S/C13H9BrN2O3/c14-9-3-4-13(17)16(7-9)8-10-6-12(19-15-10)11-2-1-5-18-11/h1-7H,8H2
InChIKeyXDIZEJVNHBBTML-UHFFFAOYSA-N
MW321.13 g/mol
LogP2.91
Rot. Bonds3

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

5-bromo-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyridin-2-one (PubChem CID 26685597) has the molecular formula C13H9BrN2O3 and a molecular weight of 321.13 g/mol. Its IUPAC name is 5-bromo-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyridin-2-one
PubChem CID26685597
Molecular FormulaC13H9BrN2O3
Molecular Weight321.13 g/mol
Exact Mass319.98
IUPAC Name5-bromo-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyridin-2-one
SMILESO=c1ccc(Br)cn1Cc1cc(-c2ccco2)on1
InChIInChI=1S/C13H9BrN2O3/c14-9-3-4-13(17)16(7-9)8-10-6-12(19-15-10)11-2-1-5-18-11/h1-7H,8H2
InChIKeyXDIZEJVNHBBTML-UHFFFAOYSA-N
XLogP2.91
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.13
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyridin-2-one (CID 26685597) is 5-bromo-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyridin-2-one is O=c1ccc(Br)cn1Cc1cc(-c2ccco2)on1.
What is the InChIKey of 5-bromo-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyridin-2-one?
The InChIKey is XDIZEJVNHBBTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2O3/c14-9-3-4-13(17)16(7-9)8-10-6-12(19-15-10)11-2-1-5-18-11/h1-7H,8H2.
What are the key properties of 5-bromo-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyridin-2-one?
5-bromo-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyridin-2-one has a molecular weight of 321.13 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyridin-2-one is sourced from PubChem (CID 26685597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).