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

C9H9N3O3 — CID 60734798

IUPAC5-methyl-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione
SMILESCc1cn(Cc2ccno2)c(=O)[nH]c1=O
InChIInChI=1S/C9H9N3O3/c1-6-4-12(9(14)11-8(6)13)5-7-2-3-10-15-7/h2-4H,5H2,1H3,(H,11,13,14)
InChIKeyOPMLEJJHSNQVCD-UHFFFAOYSA-N
MW207.19 g/mol
LogP-0.12
Rot. Bonds2

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

5-methyl-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione (PubChem CID 60734798) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is 5-methyl-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione
PubChem CID60734798
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Name5-methyl-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione
SMILESCc1cn(Cc2ccno2)c(=O)[nH]c1=O
InChIInChI=1S/C9H9N3O3/c1-6-4-12(9(14)11-8(6)13)5-7-2-3-10-15-7/h2-4H,5H2,1H3,(H,11,13,14)
InChIKeyOPMLEJJHSNQVCD-UHFFFAOYSA-N
XLogP-0.12
TPSA80.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione (CID 60734798) is 5-methyl-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione is Cc1cn(Cc2ccno2)c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is OPMLEJJHSNQVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3/c1-6-4-12(9(14)11-8(6)13)5-7-2-3-10-15-7/h2-4H,5H2,1H3,(H,11,13,14).
What are the key properties of 5-methyl-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione?
5-methyl-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 207.19 g/mol, XLogP of -0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 60734798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).