1-[[3-[(5R)-5-(3-fluoro-4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one

C20H19FN6O3 — CID 153344999

IUPAC1-[[3-[(5R)-5-(3-fluoro-4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one
SMILESCc1ccc([C@H]2CC(c3noc(Cn4cnc5ncn(C)c5c4=O)n3)CO2)cc1F
InChIInChI=1S/C20H19FN6O3/c1-11-3-4-12(5-14(11)21)15-6-13(8-29-15)18-24-16(30-25-18)7-27-10-23-19-17(20(27)28)26(2)9-22-19/h3-5,9-10,13,15H,6-8H2,1-2H3/t13?,15-/m1/s1
InChIKeySXHJXYFTZRGOLI-AWKYBWMHSA-N
MW410.41 g/mol
LogP2.25
Rot. Bonds4

About 1-[[3-[(5R)-5-(3-fluoro-4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one

1-[[3-[(5R)-5-(3-fluoro-4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one (PubChem CID 153344999) has the molecular formula C20H19FN6O3 and a molecular weight of 410.41 g/mol. Its IUPAC name is 1-[[3-[(5R)-5-(3-fluoro-4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one.

Molecular Properties

Compound Name1-[[3-[(5R)-5-(3-fluoro-4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one
PubChem CID153344999
Molecular FormulaC20H19FN6O3
Molecular Weight410.41 g/mol
Exact Mass410.15
IUPAC Name1-[[3-[(5R)-5-(3-fluoro-4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one
SMILESCc1ccc([C@H]2CC(c3noc(Cn4cnc5ncn(C)c5c4=O)n3)CO2)cc1F
InChIInChI=1S/C20H19FN6O3/c1-11-3-4-12(5-14(11)21)15-6-13(8-29-15)18-24-16(30-25-18)7-27-10-23-19-17(20(27)28)26(2)9-22-19/h3-5,9-10,13,15H,6-8H2,1-2H3/t13?,15-/m1/s1
InChIKeySXHJXYFTZRGOLI-AWKYBWMHSA-N
XLogP2.25
TPSA100.86 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.41
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-[[3-[(5R)-5-(3-fluoro-4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(5R)-5-(3-fluoro-4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one?
The IUPAC name of 1-[[3-[(5R)-5-(3-fluoro-4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one (CID 153344999) is 1-[[3-[(5R)-5-(3-fluoro-4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one.
What is the SMILES notation for 1-[[3-[(5R)-5-(3-fluoro-4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one?
The canonical SMILES for 1-[[3-[(5R)-5-(3-fluoro-4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one is Cc1ccc([C@H]2CC(c3noc(Cn4cnc5ncn(C)c5c4=O)n3)CO2)cc1F.
What is the InChIKey of 1-[[3-[(5R)-5-(3-fluoro-4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one?
The InChIKey is SXHJXYFTZRGOLI-AWKYBWMHSA-N. The full InChI is InChI=1S/C20H19FN6O3/c1-11-3-4-12(5-14(11)21)15-6-13(8-29-15)18-24-16(30-25-18)7-27-10-23-19-17(20(27)28)26(2)9-22-19/h3-5,9-10,13,15H,6-8H2,1-2H3/t13?,15-/m1/s1.
What are the key properties of 1-[[3-[(5R)-5-(3-fluoro-4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one?
1-[[3-[(5R)-5-(3-fluoro-4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one has a molecular weight of 410.41 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(5R)-5-(3-fluoro-4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one is sourced from PubChem (CID 153344999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).