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

C16H28N4O — CID 102850431

IUPAC2-tert-butyl-5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-1,3,4-oxadiazole
SMILESCC(C)(C)c1nnc(CN2CCCC3(CCCNC3)C2)o1
InChIInChI=1S/C16H28N4O/c1-15(2,3)14-19-18-13(21-14)10-20-9-5-7-16(12-20)6-4-8-17-11-16/h17H,4-12H2,1-3H3
InChIKeyAKLBJSPLICOTFT-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.33
Rot. Bonds2

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

2-tert-butyl-5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-1,3,4-oxadiazole (PubChem CID 102850431) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-tert-butyl-5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-tert-butyl-5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-1,3,4-oxadiazole
PubChem CID102850431
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2-tert-butyl-5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-1,3,4-oxadiazole
SMILESCC(C)(C)c1nnc(CN2CCCC3(CCCNC3)C2)o1
InChIInChI=1S/C16H28N4O/c1-15(2,3)14-19-18-13(21-14)10-20-9-5-7-16(12-20)6-4-8-17-11-16/h17H,4-12H2,1-3H3
InChIKeyAKLBJSPLICOTFT-UHFFFAOYSA-N
XLogP2.33
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-tert-butyl-5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-1,3,4-oxadiazole (CID 102850431) is 2-tert-butyl-5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-tert-butyl-5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-tert-butyl-5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-1,3,4-oxadiazole is CC(C)(C)c1nnc(CN2CCCC3(CCCNC3)C2)o1.
What is the InChIKey of 2-tert-butyl-5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-1,3,4-oxadiazole?
The InChIKey is AKLBJSPLICOTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-15(2,3)14-19-18-13(21-14)10-20-9-5-7-16(12-20)6-4-8-17-11-16/h17H,4-12H2,1-3H3.
What are the key properties of 2-tert-butyl-5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-1,3,4-oxadiazole?
2-tert-butyl-5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-1,3,4-oxadiazole has a molecular weight of 292.43 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 102850431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).