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

C17H23N5O2 — CID 118746421

IUPAC8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(pyridin-4-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESCc1nnc(N2CCCC3(CN(Cc4ccncc4)CCO3)C2)o1
InChIInChI=1S/C17H23N5O2/c1-14-19-20-16(24-14)22-8-2-5-17(13-22)12-21(9-10-23-17)11-15-3-6-18-7-4-15/h3-4,6-7H,2,5,8-13H2,1H3
InChIKeyANYFGRQSGTXDFW-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.64
Rot. Bonds3

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

8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(pyridin-4-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane (PubChem CID 118746421) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(pyridin-4-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(pyridin-4-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
PubChem CID118746421
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(pyridin-4-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESCc1nnc(N2CCCC3(CN(Cc4ccncc4)CCO3)C2)o1
InChIInChI=1S/C17H23N5O2/c1-14-19-20-16(24-14)22-8-2-5-17(13-22)12-21(9-10-23-17)11-15-3-6-18-7-4-15/h3-4,6-7H,2,5,8-13H2,1H3
InChIKeyANYFGRQSGTXDFW-UHFFFAOYSA-N
XLogP1.64
TPSA67.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(pyridin-4-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane?
The IUPAC name of 8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(pyridin-4-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane (CID 118746421) is 8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(pyridin-4-ylmethyl)-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-4-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane?
The canonical SMILES for 8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(pyridin-4-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane is Cc1nnc(N2CCCC3(CN(Cc4ccncc4)CCO3)C2)o1.
What is the InChIKey of 8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(pyridin-4-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane?
The InChIKey is ANYFGRQSGTXDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-14-19-20-16(24-14)22-8-2-5-17(13-22)12-21(9-10-23-17)11-15-3-6-18-7-4-15/h3-4,6-7H,2,5,8-13H2,1H3.
What are the key properties of 8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(pyridin-4-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane?
8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(pyridin-4-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane has a molecular weight of 329.40 g/mol, XLogP of 1.64, 3 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-4-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 118746421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).