8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane

C16H21N5O2 — CID 118744622

IUPAC8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESCc1nnc(N2CCCC3(CN(c4ccccn4)CCO3)C2)o1
InChIInChI=1S/C16H21N5O2/c1-13-18-19-15(23-13)21-8-4-6-16(12-21)11-20(9-10-22-16)14-5-2-3-7-17-14/h2-3,5,7H,4,6,8-12H2,1H3
InChIKeyQBVZKUFTDSKAKU-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.65
Rot. Bonds2

About 8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane

8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane (PubChem CID 118744622) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
PubChem CID118744622
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESCc1nnc(N2CCCC3(CN(c4ccccn4)CCO3)C2)o1
InChIInChI=1S/C16H21N5O2/c1-13-18-19-15(23-13)21-8-4-6-16(12-21)11-20(9-10-22-16)14-5-2-3-7-17-14/h2-3,5,7H,4,6,8-12H2,1H3
InChIKeyQBVZKUFTDSKAKU-UHFFFAOYSA-N
XLogP1.65
TPSA67.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
The IUPAC name of 8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane (CID 118744622) is 8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane.
What is the SMILES notation for 8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
The canonical SMILES for 8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane is Cc1nnc(N2CCCC3(CN(c4ccccn4)CCO3)C2)o1.
What is the InChIKey of 8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
The InChIKey is QBVZKUFTDSKAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-13-18-19-15(23-13)21-8-4-6-16(12-21)11-20(9-10-22-16)14-5-2-3-7-17-14/h2-3,5,7H,4,6,8-12H2,1H3.
What are the key properties of 8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane has a molecular weight of 315.38 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 118744622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).