2-[6-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-phenyl-1,3,4-oxadiazole

C25H25N5O2 — CID 56803976

IUPAC2-[6-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(Cc2noc(CN3CCC4(CC3)CC4c3nnc(-c4ccccc4)o3)n2)cc1
InChIInChI=1S/C25H25N5O2/c1-3-7-18(8-4-1)15-21-26-22(32-29-21)17-30-13-11-25(12-14-30)16-20(25)24-28-27-23(31-24)19-9-5-2-6-10-19/h1-10,20H,11-17H2
InChIKeyCRXJAUSTQIVVNH-UHFFFAOYSA-N
MW427.51 g/mol
LogP4.48
Rot. Bonds6

About 2-[6-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-phenyl-1,3,4-oxadiazole

2-[6-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 56803976) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 2-[6-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[6-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-phenyl-1,3,4-oxadiazole
PubChem CID56803976
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name2-[6-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(Cc2noc(CN3CCC4(CC3)CC4c3nnc(-c4ccccc4)o3)n2)cc1
InChIInChI=1S/C25H25N5O2/c1-3-7-18(8-4-1)15-21-26-22(32-29-21)17-30-13-11-25(12-14-30)16-20(25)24-28-27-23(31-24)19-9-5-2-6-10-19/h1-10,20H,11-17H2
InChIKeyCRXJAUSTQIVVNH-UHFFFAOYSA-N
XLogP4.48
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[6-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-phenyl-1,3,4-oxadiazole with MolForge

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Related Compounds

2-[(2R)-6-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-phenyl-1,3,4-oxadiazole
CID 95617827
2-[(2R)-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-phenyl-1,3,4-oxadiazole
CID 95617807
2-(3-fluorophenyl)-5-[(2S)-6-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole
CID 95618262
3-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole
CID 39755777
2-(6-benzylsulfonyl-6-azaspiro[2.5]octan-2-yl)-5-phenyl-1,3,4-oxadiazole
CID 56803987
[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120773741
[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120773740
(3S,4R)-1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-3,4-diol
CID 79410414
3-benzyl-5-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 35101653
(3R)-1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol
CID 63365319
2-phenyl-5-(6-piperidin-1-ylsulfonyl-6-azaspiro[2.5]octan-2-yl)-1,3,4-oxadiazole
CID 56803988
2-[(2R)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole
CID 95618273

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[6-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-phenyl-1,3,4-oxadiazole (CID 56803976) is 2-[6-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[6-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[6-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-phenyl-1,3,4-oxadiazole is c1ccc(Cc2noc(CN3CCC4(CC3)CC4c3nnc(-c4ccccc4)o3)n2)cc1.
What is the InChIKey of 2-[6-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is CRXJAUSTQIVVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-3-7-18(8-4-1)15-21-26-22(32-29-21)17-30-13-11-25(12-14-30)16-20(25)24-28-27-23(31-24)19-9-5-2-6-10-19/h1-10,20H,11-17H2.
What are the key properties of 2-[6-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-phenyl-1,3,4-oxadiazole?
2-[6-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 427.51 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 56803976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).