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

C11H7N3O3 — CID 134908518

IUPAC3-phenyl-4H-[1,2]oxazolo[4,5-d]pyrimidine-5,7-dione
SMILESO=c1[nH]c(=O)c2onc(-c3ccccc3)c2[nH]1
InChIInChI=1S/C11H7N3O3/c15-10-9-8(12-11(16)13-10)7(14-17-9)6-4-2-1-3-5-6/h1-5H,(H2,12,13,15,16)
InChIKeyAYEMULYFRUPQLV-UHFFFAOYSA-N
MW229.20 g/mol
LogP0.87
Rot. Bonds1

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

3-phenyl-4H-[1,2]oxazolo[4,5-d]pyrimidine-5,7-dione (PubChem CID 134908518) has the molecular formula C11H7N3O3 and a molecular weight of 229.20 g/mol. Its IUPAC name is 3-phenyl-4H-[1,2]oxazolo[4,5-d]pyrimidine-5,7-dione.

Molecular Properties

Compound Name3-phenyl-4H-[1,2]oxazolo[4,5-d]pyrimidine-5,7-dione
PubChem CID134908518
Molecular FormulaC11H7N3O3
Molecular Weight229.20 g/mol
Exact Mass229.05
IUPAC Name3-phenyl-4H-[1,2]oxazolo[4,5-d]pyrimidine-5,7-dione
SMILESO=c1[nH]c(=O)c2onc(-c3ccccc3)c2[nH]1
InChIInChI=1S/C11H7N3O3/c15-10-9-8(12-11(16)13-10)7(14-17-9)6-4-2-1-3-5-6/h1-5H,(H2,12,13,15,16)
InChIKeyAYEMULYFRUPQLV-UHFFFAOYSA-N
XLogP0.87
TPSA91.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-phenyl-4H-[1,2]oxazolo[4,5-d]pyrimidine-5,7-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-bromo-3-phenyl-5H-[1,2]oxazolo[4,5-d]pyridazin-4-one
CID 121223055
1,1'-biphenyl;7,9-dihydro-3H-purine-2,6,8-trione
CID 174945142
7-methoxy-3-phenyl-5H-[1,2]oxazolo[4,5-d]pyridazin-4-one
CID 121000494
7-hydroxy-8-phenyl-3H-purine-2,6-dione
CID 12933240
3-phenyl-1,5-dihydropyrazolo[4,5-c]quinolin-4-one
CID 136740229
3,4-diphenyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one
CID 54613569
7-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 10354458
3,4-diphenyl-1,2-oxazole-5-carboxylic acid
CID 129078640
3-phenyl-1,2-benzoxazol-7-ol
CID 105464793
2-methyl-4,5-diphenyl-1H-pyrimidin-6-one
CID 162219901
6-butyl-5-methyl-7-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione
CID 21496072
13-methyl-11-(4-phenylphenyl)-8-thia-3,5,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene-4,6-dione
CID 11494754

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4H-[1,2]oxazolo[4,5-d]pyrimidine-5,7-dione?
The IUPAC name of 3-phenyl-4H-[1,2]oxazolo[4,5-d]pyrimidine-5,7-dione (CID 134908518) is 3-phenyl-4H-[1,2]oxazolo[4,5-d]pyrimidine-5,7-dione.
What is the SMILES notation for 3-phenyl-4H-[1,2]oxazolo[4,5-d]pyrimidine-5,7-dione?
The canonical SMILES for 3-phenyl-4H-[1,2]oxazolo[4,5-d]pyrimidine-5,7-dione is O=c1[nH]c(=O)c2onc(-c3ccccc3)c2[nH]1.
What is the InChIKey of 3-phenyl-4H-[1,2]oxazolo[4,5-d]pyrimidine-5,7-dione?
The InChIKey is AYEMULYFRUPQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O3/c15-10-9-8(12-11(16)13-10)7(14-17-9)6-4-2-1-3-5-6/h1-5H,(H2,12,13,15,16).
What are the key properties of 3-phenyl-4H-[1,2]oxazolo[4,5-d]pyrimidine-5,7-dione?
3-phenyl-4H-[1,2]oxazolo[4,5-d]pyrimidine-5,7-dione has a molecular weight of 229.20 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4H-[1,2]oxazolo[4,5-d]pyrimidine-5,7-dione is sourced from PubChem (CID 134908518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).