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

C7H6N4O3 — CID 63811371

IUPAC1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione
SMILESO=c1ccn(Cc2ncon2)c(=O)[nH]1
InChIInChI=1S/C7H6N4O3/c12-6-1-2-11(7(13)9-6)3-5-8-4-14-10-5/h1-2,4H,3H2,(H,9,12,13)
InChIKeyUMCUOKAPCZBYSV-UHFFFAOYSA-N
MW194.15 g/mol
LogP-1.03
Rot. Bonds2

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

1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione (PubChem CID 63811371) has the molecular formula C7H6N4O3 and a molecular weight of 194.15 g/mol. Its IUPAC name is 1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione
PubChem CID63811371
Molecular FormulaC7H6N4O3
Molecular Weight194.15 g/mol
Exact Mass194.04
IUPAC Name1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione
SMILESO=c1ccn(Cc2ncon2)c(=O)[nH]1
InChIInChI=1S/C7H6N4O3/c12-6-1-2-11(7(13)9-6)3-5-8-4-14-10-5/h1-2,4H,3H2,(H,9,12,13)
InChIKeyUMCUOKAPCZBYSV-UHFFFAOYSA-N
XLogP-1.03
TPSA93.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.15
LogP ≤ 5-1.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione (CID 63811371) is 1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione is O=c1ccn(Cc2ncon2)c(=O)[nH]1.
What is the InChIKey of 1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is UMCUOKAPCZBYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O3/c12-6-1-2-11(7(13)9-6)3-5-8-4-14-10-5/h1-2,4H,3H2,(H,9,12,13).
What are the key properties of 1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione?
1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 194.15 g/mol, XLogP of -1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 63811371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).