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

C8H7N3O3 — CID 63812530

IUPAC1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione
SMILESO=c1ccn(Cc2ccno2)c(=O)[nH]1
InChIInChI=1S/C8H7N3O3/c12-7-2-4-11(8(13)10-7)5-6-1-3-9-14-6/h1-4H,5H2,(H,10,12,13)
InChIKeyOGJDZKLQRHPCDX-UHFFFAOYSA-N
MW193.16 g/mol
LogP-0.43
Rot. Bonds2

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

1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione (PubChem CID 63812530) has the molecular formula C8H7N3O3 and a molecular weight of 193.16 g/mol. Its IUPAC name is 1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione
PubChem CID63812530
Molecular FormulaC8H7N3O3
Molecular Weight193.16 g/mol
Exact Mass193.05
IUPAC Name1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione
SMILESO=c1ccn(Cc2ccno2)c(=O)[nH]1
InChIInChI=1S/C8H7N3O3/c12-7-2-4-11(8(13)10-7)5-6-1-3-9-14-6/h1-4H,5H2,(H,10,12,13)
InChIKeyOGJDZKLQRHPCDX-UHFFFAOYSA-N
XLogP-0.43
TPSA80.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione (CID 63812530) is 1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione is O=c1ccn(Cc2ccno2)c(=O)[nH]1.
What is the InChIKey of 1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is OGJDZKLQRHPCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3/c12-7-2-4-11(8(13)10-7)5-6-1-3-9-14-6/h1-4H,5H2,(H,10,12,13).
What are the key properties of 1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione?
1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 193.16 g/mol, XLogP of -0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 63812530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).