8-ethyl-2,4-dimethyl-7-phenylpurino[8,7-b][1,3]oxazole-1,3-dione

C17H16N4O3 — CID 558330

IUPAC8-ethyl-2,4-dimethyl-7-phenylpurino[8,7-b][1,3]oxazole-1,3-dione
SMILESCCc1c(-c2ccccc2)oc2nc3c(c(=O)n(C)c(=O)n3C)n12
InChIInChI=1S/C17H16N4O3/c1-4-11-13(10-8-6-5-7-9-10)24-16-18-14-12(21(11)16)15(22)20(3)17(23)19(14)2/h5-9H,4H2,1-3H3
InChIKeyQQFPHCSLXCSEOU-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.71
Rot. Bonds2

About 8-ethyl-2,4-dimethyl-7-phenylpurino[8,7-b][1,3]oxazole-1,3-dione

8-ethyl-2,4-dimethyl-7-phenylpurino[8,7-b][1,3]oxazole-1,3-dione (PubChem CID 558330) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 8-ethyl-2,4-dimethyl-7-phenylpurino[8,7-b][1,3]oxazole-1,3-dione.

Molecular Properties

Compound Name8-ethyl-2,4-dimethyl-7-phenylpurino[8,7-b][1,3]oxazole-1,3-dione
PubChem CID558330
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name8-ethyl-2,4-dimethyl-7-phenylpurino[8,7-b][1,3]oxazole-1,3-dione
SMILESCCc1c(-c2ccccc2)oc2nc3c(c(=O)n(C)c(=O)n3C)n12
InChIInChI=1S/C17H16N4O3/c1-4-11-13(10-8-6-5-7-9-10)24-16-18-14-12(21(11)16)15(22)20(3)17(23)19(14)2/h5-9H,4H2,1-3H3
InChIKeyQQFPHCSLXCSEOU-UHFFFAOYSA-N
XLogP1.71
TPSA74.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-ethyl-2,4-dimethyl-7-phenylpurino[8,7-b][1,3]oxazole-1,3-dione with MolForge

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Related Compounds

6-butyl-8-ethyl-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 3790076
8-ethyl-6-(2-hydroxyphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 16762575
6-(3-chlorophenyl)-8-ethyl-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 1045820
8-ethyl-6-[(2S)-2-hydroxy-2-phenylethyl]-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 1205188
8-ethyl-6-(3-fluorophenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 3803948
2,4-dimethyl-8-pentyl-7-phenyl-6H-purino[7,8-a]imidazole-1,3-dione
CID 26433791
8-butyl-2,4-dimethyl-6,7-diphenylpurino[7,8-a]imidazole-1,3-dione
CID 16765140
2-benzyl-4,7,8-trimethylpurino[8,7-b][1,3]oxazole-1,3-dione
CID 4897717
6-ethyl-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 3162690
7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-phenylpurine-2,6-dione;hydrochloride
CID 70577095
8-ethyl-2,4-dimethylpurino[8,7-b][1,3]thiazole-1,3-dione
CID 121224194
1,3,11-trimethylpurino[8,7-b]quinazoline-2,4,6-trione
CID 10267450

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2,4-dimethyl-7-phenylpurino[8,7-b][1,3]oxazole-1,3-dione?
The IUPAC name of 8-ethyl-2,4-dimethyl-7-phenylpurino[8,7-b][1,3]oxazole-1,3-dione (CID 558330) is 8-ethyl-2,4-dimethyl-7-phenylpurino[8,7-b][1,3]oxazole-1,3-dione.
What is the SMILES notation for 8-ethyl-2,4-dimethyl-7-phenylpurino[8,7-b][1,3]oxazole-1,3-dione?
The canonical SMILES for 8-ethyl-2,4-dimethyl-7-phenylpurino[8,7-b][1,3]oxazole-1,3-dione is CCc1c(-c2ccccc2)oc2nc3c(c(=O)n(C)c(=O)n3C)n12.
What is the InChIKey of 8-ethyl-2,4-dimethyl-7-phenylpurino[8,7-b][1,3]oxazole-1,3-dione?
The InChIKey is QQFPHCSLXCSEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-4-11-13(10-8-6-5-7-9-10)24-16-18-14-12(21(11)16)15(22)20(3)17(23)19(14)2/h5-9H,4H2,1-3H3.
What are the key properties of 8-ethyl-2,4-dimethyl-7-phenylpurino[8,7-b][1,3]oxazole-1,3-dione?
8-ethyl-2,4-dimethyl-7-phenylpurino[8,7-b][1,3]oxazole-1,3-dione has a molecular weight of 324.34 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2,4-dimethyl-7-phenylpurino[8,7-b][1,3]oxazole-1,3-dione is sourced from PubChem (CID 558330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).