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

C22H27N5O2 — CID 95617827

IUPAC2-[(2R)-6-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-phenyl-1,3,4-oxadiazole
SMILESCCCCc1noc(CN2CCC3(CC2)C[C@H]3c2nnc(-c3ccccc3)o2)n1
InChIInChI=1S/C22H27N5O2/c1-2-3-9-18-23-19(29-26-18)15-27-12-10-22(11-13-27)14-17(22)21-25-24-20(28-21)16-7-5-4-6-8-16/h4-8,17H,2-3,9-15H2,1H3/t17-/m0/s1
InChIKeyYDUCBMMMQKPEKH-KRWDZBQOSA-N
MW393.49 g/mol
LogP4.23
Rot. Bonds7

About 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

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 (PubChem CID 95617827) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(2R)-6-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-phenyl-1,3,4-oxadiazole
PubChem CID95617827
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name2-[(2R)-6-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-phenyl-1,3,4-oxadiazole
SMILESCCCCc1noc(CN2CCC3(CC2)C[C@H]3c2nnc(-c3ccccc3)o2)n1
InChIInChI=1S/C22H27N5O2/c1-2-3-9-18-23-19(29-26-18)15-27-12-10-22(11-13-27)14-17(22)21-25-24-20(28-21)16-7-5-4-6-8-16/h4-8,17H,2-3,9-15H2,1H3/t17-/m0/s1
InChIKeyYDUCBMMMQKPEKH-KRWDZBQOSA-N
XLogP4.23
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCc1noc(CN2CCC3(CC2)C[C@H]3c2nnc(-c3ccccc3)o2)n1.
What is the InChIKey of 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?
The InChIKey is YDUCBMMMQKPEKH-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-2-3-9-18-23-19(29-26-18)15-27-12-10-22(11-13-27)14-17(22)21-25-24-20(28-21)16-7-5-4-6-8-16/h4-8,17H,2-3,9-15H2,1H3/t17-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 393.49 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 95617827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).