8-chloro-1-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;5-(chloromethyl)-3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazole;8-chloro-7-methyl-1H-purin-6-one;3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-7H-pyrrolo[3,2-d]pyrimidine-4,6-dione;7-methyl-1H-purin-6-one

C64H57Cl6N21O11 — CID 159019705

About 8-chloro-1-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;5-(chloromethyl)-3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazole;8-chloro-7-methyl-1H-purin-6-one;3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-7H-pyrrolo[3,2-d]pyrimidine-4,6-dione;7-methyl-1H-purin-6-one

8-chloro-1-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;5-(chloromethyl)-3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazole;8-chloro-7-methyl-1H-purin-6-one;3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-7H-pyrrolo[3,2-d]pyrimidine-4,6-dione;7-methyl-1H-purin-6-one (PubChem CID 159019705) has the molecular formula C64H57Cl6N21O11 and a molecular weight of 1509.01 g/mol. Its IUPAC name is 8-chloro-1-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;5-(chloromethyl)-3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazole;8-chloro-7-methyl-1H-purin-6-one;3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-7H-pyrrolo[3,2-d]pyrimidine-4,6-dione;7-methyl-1H-purin-6-one.

Molecular Properties

• Compound Name: 8-chloro-1-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;5-(chloromethyl)-3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazole;8-chloro-7-methyl-1H-purin-6-one;3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-7H-pyrrolo[3,2-d]pyrimidine-4,6-dione;7-methyl-1H-purin-6-one
• PubChem CID: 159019705
• Molecular Formula: C64H57Cl6N21O11
• Molecular Weight: 1509.01 g/mol
• Exact Mass: 1505.27
• IUPAC Name: 8-chloro-1-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;5-(chloromethyl)-3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazole;8-chloro-7-methyl-1H-purin-6-one;3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-7H-pyrrolo[3,2-d]pyrimidine-4,6-dione;7-methyl-1H-purin-6-one
• SMILES: CN1C(=O)Cc2ncn(Cc3nc([C@@H]4CO[C@@H](c5ccc(Cl)cc5)C4)no3)c(=O)c21.ClCc1nc([C@@H]2CO[C@@H](c3ccc(Cl)cc3)C2)no1.Cn1c(Cl)nc2nc[nH]c(=O)c21.Cn1c(Cl)nc2ncn(Cc3nc([C@@H]4CO[C@@H](c5ccc(Cl)cc5)C4)no3)c(=O)c21.Cn1cnc2nc[nH]c(=O)c21
• InChI: InChI=1S/C20H18ClN5O4.C19H16Cl2N6O3.C13H12Cl2N2O2.C6H5ClN4O.C6H6N4O/c1-25-17(27)7-14-18(25)20(28)26(10-22-14)8-16-23-19(24-30-16)12-6-15(29-9-12)11-2-4-13(21)5-3-11;1-26-15-17(24-19(26)21)22-9-27(18(15)28)7-14-23-16(25-30-14)11-6-13(29-8-11)10-2-4-12(20)5-3-10;14-6-12-16-13(17-19-12)9-5-11(18-7-9)8-1-3-10(15)4-2-8;1-11-3-4(10-6(11)7)8-2-9-5(3)12;1-10-3-9-5-4(10)6(11)8-2-7-5/h2-5,10,12,15H,6-9H2,1H3;2-5,9,11,13H,6-8H2,1H3;1-4,9,11H,5-7H2;2H,1H3,(H,8,9,12);2-3H,1H3,(H,7,8,11)/t12-,15+;11-,13+;9-,11+;;/m000../s1
• InChIKey: JTNMFZXVVMPJQE-LBSFDOCRSA-N
• XLogP: 8.88
• TPSA: 379.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 29
• Rotatable Bonds: 11
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1509.01
LogP ≤ 5	8.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;5-(chloromethyl)-3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazole;8-chloro-7-methyl-1H-purin-6-one;3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-7H-pyrrolo[3,2-d]pyrimidine-4,6-dione;7-methyl-1H-purin-6-one?

The IUPAC name of 8-chloro-1-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;5-(chloromethyl)-3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazole;8-chloro-7-methyl-1H-purin-6-one;3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-7H-pyrrolo[3,2-d]pyrimidine-4,6-dione;7-methyl-1H-purin-6-one (CID 159019705) is 8-chloro-1-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;5-(chloromethyl)-3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazole;8-chloro-7-methyl-1H-purin-6-one;3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-7H-pyrrolo[3,2-d]pyrimidine-4,6-dione;7-methyl-1H-purin-6-one.

What is the SMILES notation for 8-chloro-1-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;5-(chloromethyl)-3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazole;8-chloro-7-methyl-1H-purin-6-one;3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-7H-pyrrolo[3,2-d]pyrimidine-4,6-dione;7-methyl-1H-purin-6-one?

The canonical SMILES for 8-chloro-1-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;5-(chloromethyl)-3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazole;8-chloro-7-methyl-1H-purin-6-one;3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-7H-pyrrolo[3,2-d]pyrimidine-4,6-dione;7-methyl-1H-purin-6-one is CN1C(=O)Cc2ncn(Cc3nc([C@@H]4CO[C@@H](c5ccc(Cl)cc5)C4)no3)c(=O)c21.ClCc1nc([C@@H]2CO[C@@H](c3ccc(Cl)cc3)C2)no1.Cn1c(Cl)nc2nc[nH]c(=O)c21.Cn1c(Cl)nc2ncn(Cc3nc([C@@H]4CO[C@@H](c5ccc(Cl)cc5)C4)no3)c(=O)c21.Cn1cnc2nc[nH]c(=O)c21.

What is the InChIKey of 8-chloro-1-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;5-(chloromethyl)-3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazole;8-chloro-7-methyl-1H-purin-6-one;3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-7H-pyrrolo[3,2-d]pyrimidine-4,6-dione;7-methyl-1H-purin-6-one?

The InChIKey is JTNMFZXVVMPJQE-LBSFDOCRSA-N. The full InChI is InChI=1S/C20H18ClN5O4.C19H16Cl2N6O3.C13H12Cl2N2O2.C6H5ClN4O.C6H6N4O/c1-25-17(27)7-14-18(25)20(28)26(10-22-14)8-16-23-19(24-30-16)12-6-15(29-9-12)11-2-4-13(21)5-3-11;1-26-15-17(24-19(26)21)22-9-27(18(15)28)7-14-23-16(25-30-14)11-6-13(29-8-11)10-2-4-12(20)5-3-10;14-6-12-16-13(17-19-12)9-5-11(18-7-9)8-1-3-10(15)4-2-8;1-11-3-4(10-6(11)7)8-2-9-5(3)12;1-10-3-9-5-4(10)6(11)8-2-7-5/h2-5,10,12,15H,6-9H2,1H3;2-5,9,11,13H,6-8H2,1H3;1-4,9,11H,5-7H2;2H,1H3,(H,8,9,12);2-3H,1H3,(H,7,8,11)/t12-,15+;11-,13+;9-,11+;;/m000../s1.

What are the key properties of 8-chloro-1-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;5-(chloromethyl)-3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazole;8-chloro-7-methyl-1H-purin-6-one;3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-7H-pyrrolo[3,2-d]pyrimidine-4,6-dione;7-methyl-1H-purin-6-one?

8-chloro-1-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;5-(chloromethyl)-3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazole;8-chloro-7-methyl-1H-purin-6-one;3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-7H-pyrrolo[3,2-d]pyrimidine-4,6-dione;7-methyl-1H-purin-6-one has a molecular weight of 1509.01 g/mol, XLogP of 8.88, 11 rotatable bonds, 2 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 8-chloro-1-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;5-(chloromethyl)-3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazole;8-chloro-7-methyl-1H-purin-6-one;3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-7H-pyrrolo[3,2-d]pyrimidine-4,6-dione;7-methyl-1H-purin-6-one is sourced from PubChem (CID 159019705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).