4-methyl-7-(phenoxymethyl)-4a,7,8,9a-tetrahydropurino[8,7-b][1,3]oxazole-1,3-dione

C15H16N4O4 — CID 78207647

IUPAC4-methyl-7-(phenoxymethyl)-4a,7,8,9a-tetrahydropurino[8,7-b][1,3]oxazole-1,3-dione
SMILESCN1C(=O)NC(=O)C2C1N=C1OC(COc3ccccc3)CN12
InChIInChI=1S/C15H16N4O4/c1-18-12-11(13(20)17-14(18)21)19-7-10(23-15(19)16-12)8-22-9-5-3-2-4-6-9/h2-6,10-12H,7-8H2,1H3,(H,17,20,21)
InChIKeyBDOSCEATDGEODI-UHFFFAOYSA-N
MW316.32 g/mol
LogP0.01
Rot. Bonds3

About 4-methyl-7-(phenoxymethyl)-4a,7,8,9a-tetrahydropurino[8,7-b][1,3]oxazole-1,3-dione

4-methyl-7-(phenoxymethyl)-4a,7,8,9a-tetrahydropurino[8,7-b][1,3]oxazole-1,3-dione (PubChem CID 78207647) has the molecular formula C15H16N4O4 and a molecular weight of 316.32 g/mol. Its IUPAC name is 4-methyl-7-(phenoxymethyl)-4a,7,8,9a-tetrahydropurino[8,7-b][1,3]oxazole-1,3-dione.

Molecular Properties

Compound Name4-methyl-7-(phenoxymethyl)-4a,7,8,9a-tetrahydropurino[8,7-b][1,3]oxazole-1,3-dione
PubChem CID78207647
Molecular FormulaC15H16N4O4
Molecular Weight316.32 g/mol
Exact Mass316.12
IUPAC Name4-methyl-7-(phenoxymethyl)-4a,7,8,9a-tetrahydropurino[8,7-b][1,3]oxazole-1,3-dione
SMILESCN1C(=O)NC(=O)C2C1N=C1OC(COc3ccccc3)CN12
InChIInChI=1S/C15H16N4O4/c1-18-12-11(13(20)17-14(18)21)19-7-10(23-15(19)16-12)8-22-9-5-3-2-4-6-9/h2-6,10-12H,7-8H2,1H3,(H,17,20,21)
InChIKeyBDOSCEATDGEODI-UHFFFAOYSA-N
XLogP0.01
TPSA83.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methyl-7-(phenoxymethyl)-4a,7,8,9a-tetrahydropurino[8,7-b][1,3]oxazole-1,3-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

8-bromo-7-(2-hydroxy-3-phenoxypropyl)-3-methyl-4,5-dihydropurine-2,6-dione
CID 78213001
8-[bis(2-hydroxyethyl)amino]-3-methyl-7-(2-phenoxyethyl)-4,5-dihydropurine-2,6-dione
CID 78337223
6-(4-ethoxyphenyl)-4-methyl-4a,7,8,9a-tetrahydropurino[7,8-a]imidazole-1,3-dione
CID 78369485
3-methyl-7-(3-methylbutyl)-8-(4-phenylpiperazin-1-yl)-4,5-dihydropurine-2,6-dione
CID 78212634
8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methyl-7-(2-phenoxyethyl)-4,5-dihydropurine-2,6-dione
CID 156591350
6-(4-methoxyphenyl)-4-methyl-4a,7,8,9a-tetrahydropurino[7,8-a]imidazole-1,3-dione
CID 78208143
5-(phenoxymethyl)-3-pyrimidin-2-yl-1,3-oxazolidine-2-carbaldehyde
CID 174702485
6-(2,3-dimethylphenyl)-4-methyl-4a,7,8,9a-tetrahydropurino[7,8-a]imidazole-1,3-dione
CID 73276828
8-(cyclohexylamino)-3-methyl-7-phenacyl-4,5-dihydropurine-2,6-dione
CID 73281636
(5S)-5-(phenoxymethyl)oxolan-2-one
CID 101167368
ethane;tetrakis(2-(phenoxymethyl)oxirane)
CID 160621496
3-methyl-7-(3-phenylpropyl)-8-[4-(3-phenylpropyl)piperazin-1-yl]-4,5-dihydropurine-2,6-dione
CID 73328470

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-(phenoxymethyl)-4a,7,8,9a-tetrahydropurino[8,7-b][1,3]oxazole-1,3-dione?
The IUPAC name of 4-methyl-7-(phenoxymethyl)-4a,7,8,9a-tetrahydropurino[8,7-b][1,3]oxazole-1,3-dione (CID 78207647) is 4-methyl-7-(phenoxymethyl)-4a,7,8,9a-tetrahydropurino[8,7-b][1,3]oxazole-1,3-dione.
What is the SMILES notation for 4-methyl-7-(phenoxymethyl)-4a,7,8,9a-tetrahydropurino[8,7-b][1,3]oxazole-1,3-dione?
The canonical SMILES for 4-methyl-7-(phenoxymethyl)-4a,7,8,9a-tetrahydropurino[8,7-b][1,3]oxazole-1,3-dione is CN1C(=O)NC(=O)C2C1N=C1OC(COc3ccccc3)CN12.
What is the InChIKey of 4-methyl-7-(phenoxymethyl)-4a,7,8,9a-tetrahydropurino[8,7-b][1,3]oxazole-1,3-dione?
The InChIKey is BDOSCEATDGEODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4/c1-18-12-11(13(20)17-14(18)21)19-7-10(23-15(19)16-12)8-22-9-5-3-2-4-6-9/h2-6,10-12H,7-8H2,1H3,(H,17,20,21).
What are the key properties of 4-methyl-7-(phenoxymethyl)-4a,7,8,9a-tetrahydropurino[8,7-b][1,3]oxazole-1,3-dione?
4-methyl-7-(phenoxymethyl)-4a,7,8,9a-tetrahydropurino[8,7-b][1,3]oxazole-1,3-dione has a molecular weight of 316.32 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-(phenoxymethyl)-4a,7,8,9a-tetrahydropurino[8,7-b][1,3]oxazole-1,3-dione is sourced from PubChem (CID 78207647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).