3-(2-methoxyphenyl)-6-methyl-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one

C13H11N3O3 — CID 135491345

IUPAC3-(2-methoxyphenyl)-6-methyl-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one
SMILESCOc1ccccc1-c1noc2nc(C)[nH]c(=O)c12
InChIInChI=1S/C13H11N3O3/c1-7-14-12(17)10-11(16-19-13(10)15-7)8-5-3-4-6-9(8)18-2/h3-6H,1-2H3,(H,14,15,17)
InChIKeyXCLPDGVIHJQQOR-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.90
Rot. Bonds2

About 3-(2-methoxyphenyl)-6-methyl-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one

3-(2-methoxyphenyl)-6-methyl-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one (PubChem CID 135491345) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-6-methyl-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-6-methyl-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one
PubChem CID135491345
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name3-(2-methoxyphenyl)-6-methyl-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one
SMILESCOc1ccccc1-c1noc2nc(C)[nH]c(=O)c12
InChIInChI=1S/C13H11N3O3/c1-7-14-12(17)10-11(16-19-13(10)15-7)8-5-3-4-6-9(8)18-2/h3-6H,1-2H3,(H,14,15,17)
InChIKeyXCLPDGVIHJQQOR-UHFFFAOYSA-N
XLogP1.90
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-6-methyl-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 3-(2-methoxyphenyl)-6-methyl-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one (CID 135491345) is 3-(2-methoxyphenyl)-6-methyl-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-(2-methoxyphenyl)-6-methyl-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 3-(2-methoxyphenyl)-6-methyl-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one is COc1ccccc1-c1noc2nc(C)[nH]c(=O)c12.
What is the InChIKey of 3-(2-methoxyphenyl)-6-methyl-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
The InChIKey is XCLPDGVIHJQQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c1-7-14-12(17)10-11(16-19-13(10)15-7)8-5-3-4-6-9(8)18-2/h3-6H,1-2H3,(H,14,15,17).
What are the key properties of 3-(2-methoxyphenyl)-6-methyl-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
3-(2-methoxyphenyl)-6-methyl-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one has a molecular weight of 257.25 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-6-methyl-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135491345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).