3-tert-butyl-5-[[2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1,2,4-oxadiazole

C23H38N6O2 — CID 166211940

IUPAC3-tert-butyl-5-[[2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1,2,4-oxadiazole
SMILESCC(C)(C)c1noc(CN2CCCC3(CCCN(Cc4nc(C(C)(C)C)no4)C3)C2)n1
InChIInChI=1S/C23H38N6O2/c1-21(2,3)19-24-17(30-26-19)13-28-11-7-9-23(15-28)10-8-12-29(16-23)14-18-25-20(27-31-18)22(4,5)6/h7-16H2,1-6H3
InChIKeyLMJNQHQMZKHXOU-UHFFFAOYSA-N
MW430.60 g/mol
LogP3.93
Rot. Bonds4

About 3-tert-butyl-5-[[2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1,2,4-oxadiazole

3-tert-butyl-5-[[2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1,2,4-oxadiazole (PubChem CID 166211940) has the molecular formula C23H38N6O2 and a molecular weight of 430.60 g/mol. Its IUPAC name is 3-tert-butyl-5-[[2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-tert-butyl-5-[[2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1,2,4-oxadiazole
PubChem CID166211940
Molecular FormulaC23H38N6O2
Molecular Weight430.60 g/mol
Exact Mass430.31
IUPAC Name3-tert-butyl-5-[[2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1,2,4-oxadiazole
SMILESCC(C)(C)c1noc(CN2CCCC3(CCCN(Cc4nc(C(C)(C)C)no4)C3)C2)n1
InChIInChI=1S/C23H38N6O2/c1-21(2,3)19-24-17(30-26-19)13-28-11-7-9-23(15-28)10-8-12-29(16-23)14-18-25-20(27-31-18)22(4,5)6/h7-16H2,1-6H3
InChIKeyLMJNQHQMZKHXOU-UHFFFAOYSA-N
XLogP3.93
TPSA84.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.60
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-[[2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-tert-butyl-5-[[2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1,2,4-oxadiazole (CID 166211940) is 3-tert-butyl-5-[[2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-tert-butyl-5-[[2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-tert-butyl-5-[[2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1,2,4-oxadiazole is CC(C)(C)c1noc(CN2CCCC3(CCCN(Cc4nc(C(C)(C)C)no4)C3)C2)n1.
What is the InChIKey of 3-tert-butyl-5-[[2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is LMJNQHQMZKHXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N6O2/c1-21(2,3)19-24-17(30-26-19)13-28-11-7-9-23(15-28)10-8-12-29(16-23)14-18-25-20(27-31-18)22(4,5)6/h7-16H2,1-6H3.
What are the key properties of 3-tert-butyl-5-[[2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1,2,4-oxadiazole?
3-tert-butyl-5-[[2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 430.60 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-[[2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 166211940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).