5-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole

C16H22N4O2 — CID 119933216

IUPAC5-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole
SMILESc1coc(-c2noc(CN3CCNCC34CCCCC4)n2)c1
InChIInChI=1S/C16H22N4O2/c1-2-6-16(7-3-1)12-17-8-9-20(16)11-14-18-15(19-22-14)13-5-4-10-21-13/h4-5,10,17H,1-3,6-9,11-12H2
InChIKeyMZIUFIIWBLTTFO-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.44
Rot. Bonds3

About 5-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole

5-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole (PubChem CID 119933216) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 5-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole
PubChem CID119933216
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name5-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole
SMILESc1coc(-c2noc(CN3CCNCC34CCCCC4)n2)c1
InChIInChI=1S/C16H22N4O2/c1-2-6-16(7-3-1)12-17-8-9-20(16)11-14-18-15(19-22-14)13-5-4-10-21-13/h4-5,10,17H,1-3,6-9,11-12H2
InChIKeyMZIUFIIWBLTTFO-UHFFFAOYSA-N
XLogP2.44
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole (CID 119933216) is 5-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole is c1coc(-c2noc(CN3CCNCC34CCCCC4)n2)c1.
What is the InChIKey of 5-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole?
The InChIKey is MZIUFIIWBLTTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-2-6-16(7-3-1)12-17-8-9-20(16)11-14-18-15(19-22-14)13-5-4-10-21-13/h4-5,10,17H,1-3,6-9,11-12H2.
What are the key properties of 5-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole?
5-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole has a molecular weight of 302.38 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 119933216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).