5-methyl-3-phenyl-7H-[1,2]oxazolo[3,4-d]pyrimidine-4,6-dione

C12H9N3O3 — CID 137126327

IUPAC5-methyl-3-phenyl-7H-[1,2]oxazolo[3,4-d]pyrimidine-4,6-dione
SMILESCn1c(=O)[nH]c2noc(-c3ccccc3)c2c1=O
InChIInChI=1S/C12H9N3O3/c1-15-11(16)8-9(7-5-3-2-4-6-7)18-14-10(8)13-12(15)17/h2-6H,1H3,(H,13,14,17)
InChIKeyLMAHGSFFQCNMJI-UHFFFAOYSA-N
MW243.22 g/mol
LogP0.88
Rot. Bonds1

About 5-methyl-3-phenyl-7H-[1,2]oxazolo[3,4-d]pyrimidine-4,6-dione

5-methyl-3-phenyl-7H-[1,2]oxazolo[3,4-d]pyrimidine-4,6-dione (PubChem CID 137126327) has the molecular formula C12H9N3O3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 5-methyl-3-phenyl-7H-[1,2]oxazolo[3,4-d]pyrimidine-4,6-dione.

Molecular Properties

Compound Name5-methyl-3-phenyl-7H-[1,2]oxazolo[3,4-d]pyrimidine-4,6-dione
PubChem CID137126327
Molecular FormulaC12H9N3O3
Molecular Weight243.22 g/mol
Exact Mass243.06
IUPAC Name5-methyl-3-phenyl-7H-[1,2]oxazolo[3,4-d]pyrimidine-4,6-dione
SMILESCn1c(=O)[nH]c2noc(-c3ccccc3)c2c1=O
InChIInChI=1S/C12H9N3O3/c1-15-11(16)8-9(7-5-3-2-4-6-7)18-14-10(8)13-12(15)17/h2-6H,1H3,(H,13,14,17)
InChIKeyLMAHGSFFQCNMJI-UHFFFAOYSA-N
XLogP0.88
TPSA80.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyl-7H-[1,2]oxazolo[3,4-d]pyrimidine-4,6-dione?
The IUPAC name of 5-methyl-3-phenyl-7H-[1,2]oxazolo[3,4-d]pyrimidine-4,6-dione (CID 137126327) is 5-methyl-3-phenyl-7H-[1,2]oxazolo[3,4-d]pyrimidine-4,6-dione.
What is the SMILES notation for 5-methyl-3-phenyl-7H-[1,2]oxazolo[3,4-d]pyrimidine-4,6-dione?
The canonical SMILES for 5-methyl-3-phenyl-7H-[1,2]oxazolo[3,4-d]pyrimidine-4,6-dione is Cn1c(=O)[nH]c2noc(-c3ccccc3)c2c1=O.
What is the InChIKey of 5-methyl-3-phenyl-7H-[1,2]oxazolo[3,4-d]pyrimidine-4,6-dione?
The InChIKey is LMAHGSFFQCNMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O3/c1-15-11(16)8-9(7-5-3-2-4-6-7)18-14-10(8)13-12(15)17/h2-6H,1H3,(H,13,14,17).
What are the key properties of 5-methyl-3-phenyl-7H-[1,2]oxazolo[3,4-d]pyrimidine-4,6-dione?
5-methyl-3-phenyl-7H-[1,2]oxazolo[3,4-d]pyrimidine-4,6-dione has a molecular weight of 243.22 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-7H-[1,2]oxazolo[3,4-d]pyrimidine-4,6-dione is sourced from PubChem (CID 137126327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).