7-methyl-1-[[3-[(3R,5R)-5-naphthalen-2-yloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one

C23H20N6O3 — CID 139486450

IUPAC7-methyl-1-[[3-[(3R,5R)-5-naphthalen-2-yloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one
SMILESCn1cnc2ncn(Cc3nc([C@@H]4CO[C@@H](c5ccc6ccccc6c5)C4)no3)c(=O)c21
InChIInChI=1S/C23H20N6O3/c1-28-12-24-22-20(28)23(30)29(13-25-22)10-19-26-21(27-32-19)17-9-18(31-11-17)16-7-6-14-4-2-3-5-15(14)8-16/h2-8,12-13,17-18H,9-11H2,1H3/t17-,18+/m0/s1
InChIKeyDWAWIOKCMZJXGY-ZWKOTPCHSA-N
MW428.45 g/mol
LogP2.96
Rot. Bonds4

About 7-methyl-1-[[3-[(3R,5R)-5-naphthalen-2-yloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one

7-methyl-1-[[3-[(3R,5R)-5-naphthalen-2-yloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one (PubChem CID 139486450) has the molecular formula C23H20N6O3 and a molecular weight of 428.45 g/mol. Its IUPAC name is 7-methyl-1-[[3-[(3R,5R)-5-naphthalen-2-yloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one.

Molecular Properties

Compound Name7-methyl-1-[[3-[(3R,5R)-5-naphthalen-2-yloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one
PubChem CID139486450
Molecular FormulaC23H20N6O3
Molecular Weight428.45 g/mol
Exact Mass428.16
IUPAC Name7-methyl-1-[[3-[(3R,5R)-5-naphthalen-2-yloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one
SMILESCn1cnc2ncn(Cc3nc([C@@H]4CO[C@@H](c5ccc6ccccc6c5)C4)no3)c(=O)c21
InChIInChI=1S/C23H20N6O3/c1-28-12-24-22-20(28)23(30)29(13-25-22)10-19-26-21(27-32-19)17-9-18(31-11-17)16-7-6-14-4-2-3-5-15(14)8-16/h2-8,12-13,17-18H,9-11H2,1H3/t17-,18+/m0/s1
InChIKeyDWAWIOKCMZJXGY-ZWKOTPCHSA-N
XLogP2.96
TPSA100.86 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 7-methyl-1-[[3-[(3R,5R)-5-naphthalen-2-yloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one with MolForge

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Launch Full Analysis

Related Compounds

1-[[3-[(5R)-5-(3-fluoro-4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one
CID 153344999
1-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-2-deuterio-7-methylpurin-6-one
CID 139486536
2-chloro-1-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one
CID 139486512
5-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-4-oxoimidazo[4,5-c]pyridine-7-carbonitrile
CID 139494952
1-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-8-(difluoromethyl)-7-methylpurin-6-one
CID 139486507
[3-[5-[(7-methyl-6-oxopurin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]cyclobutyl] methanesulfonate
CID 135325090
3-[[3-[(3R,5R)-5-(1H-indazol-6-yl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one
CID 139486627
7-methyl-1-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.1]heptan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one
CID 142421671
3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-8H-quinazoline-4,7-dione
CID 157085114
5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-4-one
CID 157095916
3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4-oxopyrazolo[5,1-f][1,2,4]triazine-5-carbonitrile
CID 155621060
7-methyl-1-[[3-[(1S,5R)-3-quinolin-3-yl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one
CID 153307091

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-[[3-[(3R,5R)-5-naphthalen-2-yloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one?
The IUPAC name of 7-methyl-1-[[3-[(3R,5R)-5-naphthalen-2-yloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one (CID 139486450) is 7-methyl-1-[[3-[(3R,5R)-5-naphthalen-2-yloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one.
What is the SMILES notation for 7-methyl-1-[[3-[(3R,5R)-5-naphthalen-2-yloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one?
The canonical SMILES for 7-methyl-1-[[3-[(3R,5R)-5-naphthalen-2-yloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one is Cn1cnc2ncn(Cc3nc([C@@H]4CO[C@@H](c5ccc6ccccc6c5)C4)no3)c(=O)c21.
What is the InChIKey of 7-methyl-1-[[3-[(3R,5R)-5-naphthalen-2-yloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one?
The InChIKey is DWAWIOKCMZJXGY-ZWKOTPCHSA-N. The full InChI is InChI=1S/C23H20N6O3/c1-28-12-24-22-20(28)23(30)29(13-25-22)10-19-26-21(27-32-19)17-9-18(31-11-17)16-7-6-14-4-2-3-5-15(14)8-16/h2-8,12-13,17-18H,9-11H2,1H3/t17-,18+/m0/s1.
What are the key properties of 7-methyl-1-[[3-[(3R,5R)-5-naphthalen-2-yloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one?
7-methyl-1-[[3-[(3R,5R)-5-naphthalen-2-yloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one has a molecular weight of 428.45 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-[[3-[(3R,5R)-5-naphthalen-2-yloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one is sourced from PubChem (CID 139486450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).