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

C8H6BrN3O3 — CID 63779268

IUPAC5-bromo-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccno2)cc1Br
InChIInChI=1S/C8H6BrN3O3/c9-6-4-12(8(14)11-7(6)13)3-5-1-2-10-15-5/h1-2,4H,3H2,(H,11,13,14)
InChIKeySHRHZYYOAWAJSU-UHFFFAOYSA-N
MW272.06 g/mol
LogP0.34
Rot. Bonds2

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

5-bromo-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione (PubChem CID 63779268) has the molecular formula C8H6BrN3O3 and a molecular weight of 272.06 g/mol. Its IUPAC name is 5-bromo-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione
PubChem CID63779268
Molecular FormulaC8H6BrN3O3
Molecular Weight272.06 g/mol
Exact Mass270.96
IUPAC Name5-bromo-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccno2)cc1Br
InChIInChI=1S/C8H6BrN3O3/c9-6-4-12(8(14)11-7(6)13)3-5-1-2-10-15-5/h1-2,4H,3H2,(H,11,13,14)
InChIKeySHRHZYYOAWAJSU-UHFFFAOYSA-N
XLogP0.34
TPSA80.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.06
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-bromo-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione (CID 63779268) is 5-bromo-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione is O=c1[nH]c(=O)n(Cc2ccno2)cc1Br.
What is the InChIKey of 5-bromo-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is SHRHZYYOAWAJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3O3/c9-6-4-12(8(14)11-7(6)13)3-5-1-2-10-15-5/h1-2,4H,3H2,(H,11,13,14).
What are the key properties of 5-bromo-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione?
5-bromo-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 272.06 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 63779268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).