5-ethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-dione

C11H13N3O3 — CID 66330134

IUPAC5-ethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-dione
SMILESCCc1cn(Cc2cc(C)no2)c(=O)[nH]c1=O
InChIInChI=1S/C11H13N3O3/c1-3-8-5-14(11(16)12-10(8)15)6-9-4-7(2)13-17-9/h4-5H,3,6H2,1-2H3,(H,12,15,16)
InChIKeyKTZLRIYALJZHRS-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.44
Rot. Bonds3

About 5-ethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-dione

5-ethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-dione (PubChem CID 66330134) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 5-ethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-dione
PubChem CID66330134
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name5-ethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-dione
SMILESCCc1cn(Cc2cc(C)no2)c(=O)[nH]c1=O
InChIInChI=1S/C11H13N3O3/c1-3-8-5-14(11(16)12-10(8)15)6-9-4-7(2)13-17-9/h4-5H,3,6H2,1-2H3,(H,12,15,16)
InChIKeyKTZLRIYALJZHRS-UHFFFAOYSA-N
XLogP0.44
TPSA80.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-dione (CID 66330134) is 5-ethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-dione is CCc1cn(Cc2cc(C)no2)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-dione?
The InChIKey is KTZLRIYALJZHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-3-8-5-14(11(16)12-10(8)15)6-9-4-7(2)13-17-9/h4-5H,3,6H2,1-2H3,(H,12,15,16).
What are the key properties of 5-ethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-dione?
5-ethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-dione has a molecular weight of 235.24 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 66330134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).