4-methyl-2-[(4-methylphenyl)methyl]-7-phenylpurino[8,7-b][1,3]oxazole-1,3-dione

C22H18N4O3 — CID 16626122

IUPAC4-methyl-2-[(4-methylphenyl)methyl]-7-phenylpurino[8,7-b][1,3]oxazole-1,3-dione
SMILESCc1ccc(Cn2c(=O)c3c(nc4oc(-c5ccccc5)cn43)n(C)c2=O)cc1
InChIInChI=1S/C22H18N4O3/c1-14-8-10-15(11-9-14)12-26-20(27)18-19(24(2)22(26)28)23-21-25(18)13-17(29-21)16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3
InChIKeyLETHJWPHFKZBIL-UHFFFAOYSA-N
MW386.41 g/mol
LogP2.96
Rot. Bonds3

About 4-methyl-2-[(4-methylphenyl)methyl]-7-phenylpurino[8,7-b][1,3]oxazole-1,3-dione

4-methyl-2-[(4-methylphenyl)methyl]-7-phenylpurino[8,7-b][1,3]oxazole-1,3-dione (PubChem CID 16626122) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is 4-methyl-2-[(4-methylphenyl)methyl]-7-phenylpurino[8,7-b][1,3]oxazole-1,3-dione.

Molecular Properties

Compound Name4-methyl-2-[(4-methylphenyl)methyl]-7-phenylpurino[8,7-b][1,3]oxazole-1,3-dione
PubChem CID16626122
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC Name4-methyl-2-[(4-methylphenyl)methyl]-7-phenylpurino[8,7-b][1,3]oxazole-1,3-dione
SMILESCc1ccc(Cn2c(=O)c3c(nc4oc(-c5ccccc5)cn43)n(C)c2=O)cc1
InChIInChI=1S/C22H18N4O3/c1-14-8-10-15(11-9-14)12-26-20(27)18-19(24(2)22(26)28)23-21-25(18)13-17(29-21)16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3
InChIKeyLETHJWPHFKZBIL-UHFFFAOYSA-N
XLogP2.96
TPSA74.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2,5-dimethylphenyl)methyl]-4-methyl-7-phenylpurino[8,7-b][1,3]oxazole-1,3-dione
CID 16626724
2-[(2,6-dichlorophenyl)methyl]-7-(4-fluorophenyl)-4-methylpurino[8,7-b][1,3]oxazole-1,3-dione
CID 16626511
7-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methyl]-4-methylpurino[8,7-b][1,3]oxazole-1,3-dione
CID 18269560
ethyl 2-[7-(4-chlorophenyl)-4-methyl-1,3-dioxopurino[8,7-b][1,3]oxazol-2-yl]acetate
CID 4963115
2-benzyl-4,7,8-trimethylpurino[8,7-b][1,3]oxazole-1,3-dione
CID 4897717
6-ethyl-4,7-dimethyl-2-[(4-methylphenyl)methyl]purino[7,8-a]imidazole-1,3-dione
CID 16810087
6-(2-fluorophenyl)-4,7-dimethyl-2-[(4-methylphenyl)methyl]purino[7,8-a]imidazole-1,3-dione
CID 7585735
8-[benzyl(methyl)amino]-3,7-dimethyl-1-[(4-methylphenyl)methyl]purine-2,6-dione
CID 27370839
7-tert-butyl-4-methyl-2-(2-phenylethyl)purino[8,7-b][1,3]oxazole-1,3-dione
CID 18580438
7-tert-butyl-2-[(2,5-dimethylphenyl)methyl]-4-methylpurino[8,7-b][1,3]oxazole-1,3-dione
CID 16615118
2-benzyl-6-(2-chloroethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 16610251
2-[(2-chloro-6-fluorophenyl)methyl]-4,7-dimethylpurino[8,7-b][1,3]oxazole-1,3-dione
CID 4971772

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(4-methylphenyl)methyl]-7-phenylpurino[8,7-b][1,3]oxazole-1,3-dione?
The IUPAC name of 4-methyl-2-[(4-methylphenyl)methyl]-7-phenylpurino[8,7-b][1,3]oxazole-1,3-dione (CID 16626122) is 4-methyl-2-[(4-methylphenyl)methyl]-7-phenylpurino[8,7-b][1,3]oxazole-1,3-dione.
What is the SMILES notation for 4-methyl-2-[(4-methylphenyl)methyl]-7-phenylpurino[8,7-b][1,3]oxazole-1,3-dione?
The canonical SMILES for 4-methyl-2-[(4-methylphenyl)methyl]-7-phenylpurino[8,7-b][1,3]oxazole-1,3-dione is Cc1ccc(Cn2c(=O)c3c(nc4oc(-c5ccccc5)cn43)n(C)c2=O)cc1.
What is the InChIKey of 4-methyl-2-[(4-methylphenyl)methyl]-7-phenylpurino[8,7-b][1,3]oxazole-1,3-dione?
The InChIKey is LETHJWPHFKZBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c1-14-8-10-15(11-9-14)12-26-20(27)18-19(24(2)22(26)28)23-21-25(18)13-17(29-21)16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3.
What are the key properties of 4-methyl-2-[(4-methylphenyl)methyl]-7-phenylpurino[8,7-b][1,3]oxazole-1,3-dione?
4-methyl-2-[(4-methylphenyl)methyl]-7-phenylpurino[8,7-b][1,3]oxazole-1,3-dione has a molecular weight of 386.41 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4-methylphenyl)methyl]-7-phenylpurino[8,7-b][1,3]oxazole-1,3-dione is sourced from PubChem (CID 16626122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).