2-(2-methoxyethyl)-4-methyl-7-phenyl-4a,9a-dihydropurino[8,7-b][1,3]oxazole-1,3-dione

C17H18N4O4 — CID 78370134

IUPAC2-(2-methoxyethyl)-4-methyl-7-phenyl-4a,9a-dihydropurino[8,7-b][1,3]oxazole-1,3-dione
SMILESCOCCN1C(=O)C2C(N=C3OC(c4ccccc4)=CN32)N(C)C1=O
InChIInChI=1S/C17H18N4O4/c1-19-14-13(15(22)20(17(19)23)8-9-24-2)21-10-12(25-16(21)18-14)11-6-4-3-5-7-11/h3-7,10,13-14H,8-9H2,1-2H3
InChIKeyGGCQZPLNUHWOAX-UHFFFAOYSA-N
MW342.36 g/mol
LogP0.92
Rot. Bonds4

About 2-(2-methoxyethyl)-4-methyl-7-phenyl-4a,9a-dihydropurino[8,7-b][1,3]oxazole-1,3-dione

2-(2-methoxyethyl)-4-methyl-7-phenyl-4a,9a-dihydropurino[8,7-b][1,3]oxazole-1,3-dione (PubChem CID 78370134) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-4-methyl-7-phenyl-4a,9a-dihydropurino[8,7-b][1,3]oxazole-1,3-dione.

Molecular Properties

Compound Name2-(2-methoxyethyl)-4-methyl-7-phenyl-4a,9a-dihydropurino[8,7-b][1,3]oxazole-1,3-dione
PubChem CID78370134
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name2-(2-methoxyethyl)-4-methyl-7-phenyl-4a,9a-dihydropurino[8,7-b][1,3]oxazole-1,3-dione
SMILESCOCCN1C(=O)C2C(N=C3OC(c4ccccc4)=CN32)N(C)C1=O
InChIInChI=1S/C17H18N4O4/c1-19-14-13(15(22)20(17(19)23)8-9-24-2)21-10-12(25-16(21)18-14)11-6-4-3-5-7-11/h3-7,10,13-14H,8-9H2,1-2H3
InChIKeyGGCQZPLNUHWOAX-UHFFFAOYSA-N
XLogP0.92
TPSA74.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-2-[(4-methylphenyl)methyl]-7-phenyl-4a,9a-dihydropurino[8,7-b][1,3]oxazole-1,3-dione
CID 73283827
7-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-4-methyl-4a,9a-dihydropurino[8,7-b][1,3]oxazole-1,3-dione
CID 73284326
7-(4-chlorophenyl)-4-methyl-2-(2-oxopropyl)-4a,9a-dihydropurino[8,7-b][1,3]oxazole-1,3-dione
CID 73281137
2-(2-methoxyethyl)-6-(2-methoxyphenyl)-4-methyl-7-phenyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 73281418
6-(3,5-dimethylphenyl)-2-(2-methoxyethyl)-4-methyl-7-phenyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 73283000
6-(3,4-dimethylphenyl)-2-(2-methoxyethyl)-4-methyl-7-phenyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 73283790
2-(2-methoxyethyl)-4,7-dimethyl-6-(1-phenylethyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 73328686
2-(2-methoxyethyl)-6-(3-methoxyphenyl)-4,7-dimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 78370147
6-(3,4-dimethylphenyl)-2-(2-methoxyethyl)-4,7-dimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 78369523
2-(2-methoxyethyl)-4,7,8-trimethyl-6-(2-methylphenyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 78368229
6-(3,4-dimethylphenyl)-2-(2-ethoxyethyl)-4-methyl-7-phenyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 73283217
6-(2,5-dimethoxyphenyl)-2-(2-ethoxyethyl)-4-methyl-7-phenyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 73283323

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-4-methyl-7-phenyl-4a,9a-dihydropurino[8,7-b][1,3]oxazole-1,3-dione?
The IUPAC name of 2-(2-methoxyethyl)-4-methyl-7-phenyl-4a,9a-dihydropurino[8,7-b][1,3]oxazole-1,3-dione (CID 78370134) is 2-(2-methoxyethyl)-4-methyl-7-phenyl-4a,9a-dihydropurino[8,7-b][1,3]oxazole-1,3-dione.
What is the SMILES notation for 2-(2-methoxyethyl)-4-methyl-7-phenyl-4a,9a-dihydropurino[8,7-b][1,3]oxazole-1,3-dione?
The canonical SMILES for 2-(2-methoxyethyl)-4-methyl-7-phenyl-4a,9a-dihydropurino[8,7-b][1,3]oxazole-1,3-dione is COCCN1C(=O)C2C(N=C3OC(c4ccccc4)=CN32)N(C)C1=O.
What is the InChIKey of 2-(2-methoxyethyl)-4-methyl-7-phenyl-4a,9a-dihydropurino[8,7-b][1,3]oxazole-1,3-dione?
The InChIKey is GGCQZPLNUHWOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c1-19-14-13(15(22)20(17(19)23)8-9-24-2)21-10-12(25-16(21)18-14)11-6-4-3-5-7-11/h3-7,10,13-14H,8-9H2,1-2H3.
What are the key properties of 2-(2-methoxyethyl)-4-methyl-7-phenyl-4a,9a-dihydropurino[8,7-b][1,3]oxazole-1,3-dione?
2-(2-methoxyethyl)-4-methyl-7-phenyl-4a,9a-dihydropurino[8,7-b][1,3]oxazole-1,3-dione has a molecular weight of 342.36 g/mol, XLogP of 0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-4-methyl-7-phenyl-4a,9a-dihydropurino[8,7-b][1,3]oxazole-1,3-dione is sourced from PubChem (CID 78370134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).