5-bromo-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione

C7H5BrN4O3 — CID 55236723

IUPAC5-bromo-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ncon2)cc1Br
InChIInChI=1S/C7H5BrN4O3/c8-4-1-12(7(14)10-6(4)13)2-5-9-3-15-11-5/h1,3H,2H2,(H,10,13,14)
InChIKeyWJFXZQJUCOOUCU-UHFFFAOYSA-N
MW273.05 g/mol
LogP-0.27
Rot. Bonds2

About 5-bromo-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione

5-bromo-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione (PubChem CID 55236723) has the molecular formula C7H5BrN4O3 and a molecular weight of 273.05 g/mol. Its IUPAC name is 5-bromo-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione
PubChem CID55236723
Molecular FormulaC7H5BrN4O3
Molecular Weight273.05 g/mol
Exact Mass271.95
IUPAC Name5-bromo-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ncon2)cc1Br
InChIInChI=1S/C7H5BrN4O3/c8-4-1-12(7(14)10-6(4)13)2-5-9-3-15-11-5/h1,3H,2H2,(H,10,13,14)
InChIKeyWJFXZQJUCOOUCU-UHFFFAOYSA-N
XLogP-0.27
TPSA93.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.05
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-bromo-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione (CID 55236723) is 5-bromo-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione is O=c1[nH]c(=O)n(Cc2ncon2)cc1Br.
What is the InChIKey of 5-bromo-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is WJFXZQJUCOOUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN4O3/c8-4-1-12(7(14)10-6(4)13)2-5-9-3-15-11-5/h1,3H,2H2,(H,10,13,14).
What are the key properties of 5-bromo-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione?
5-bromo-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 273.05 g/mol, XLogP of -0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 55236723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).