9-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol

C17H22N4O3 — CID 72886395

IUPAC9-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
SMILESOC1CCCOC12CCN(Cc1nnc(-c3cccnc3)o1)CC2
InChIInChI=1S/C17H22N4O3/c22-14-4-2-10-23-17(14)5-8-21(9-6-17)12-15-19-20-16(24-15)13-3-1-7-18-11-13/h1,3,7,11,14,22H,2,4-6,8-10,12H2
InChIKeyOIZPZCYWPYDNDJ-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.64
Rot. Bonds3

About 9-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol

9-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol (PubChem CID 72886395) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 9-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol.

Molecular Properties

Compound Name9-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
PubChem CID72886395
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name9-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
SMILESOC1CCCOC12CCN(Cc1nnc(-c3cccnc3)o1)CC2
InChIInChI=1S/C17H22N4O3/c22-14-4-2-10-23-17(14)5-8-21(9-6-17)12-15-19-20-16(24-15)13-3-1-7-18-11-13/h1,3,7,11,14,22H,2,4-6,8-10,12H2
InChIKeyOIZPZCYWPYDNDJ-UHFFFAOYSA-N
XLogP1.64
TPSA84.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 9-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The IUPAC name of 9-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol (CID 72886395) is 9-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol.
What is the SMILES notation for 9-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The canonical SMILES for 9-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol is OC1CCCOC12CCN(Cc1nnc(-c3cccnc3)o1)CC2.
What is the InChIKey of 9-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The InChIKey is OIZPZCYWPYDNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c22-14-4-2-10-23-17(14)5-8-21(9-6-17)12-15-19-20-16(24-15)13-3-1-7-18-11-13/h1,3,7,11,14,22H,2,4-6,8-10,12H2.
What are the key properties of 9-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol?
9-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol has a molecular weight of 330.39 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol is sourced from PubChem (CID 72886395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).