5-(2-azaspiro[4.5]decan-4-yl)-3-(1H-imidazol-2-yl)-1,2,4-oxadiazole

C14H19N5O — CID 138006780

IUPAC5-(2-azaspiro[4.5]decan-4-yl)-3-(1H-imidazol-2-yl)-1,2,4-oxadiazole
SMILESc1c[nH]c(-c2noc(C3CNCC34CCCCC4)n2)n1
InChIInChI=1S/C14H19N5O/c1-2-4-14(5-3-1)9-15-8-10(14)13-18-12(19-20-13)11-16-6-7-17-11/h6-7,10,15H,1-5,8-9H2,(H,16,17)
InChIKeyKWVPPNSOJSDTRX-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.10
Rot. Bonds2

About 5-(2-azaspiro[4.5]decan-4-yl)-3-(1H-imidazol-2-yl)-1,2,4-oxadiazole

5-(2-azaspiro[4.5]decan-4-yl)-3-(1H-imidazol-2-yl)-1,2,4-oxadiazole (PubChem CID 138006780) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-(2-azaspiro[4.5]decan-4-yl)-3-(1H-imidazol-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-azaspiro[4.5]decan-4-yl)-3-(1H-imidazol-2-yl)-1,2,4-oxadiazole
PubChem CID138006780
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name5-(2-azaspiro[4.5]decan-4-yl)-3-(1H-imidazol-2-yl)-1,2,4-oxadiazole
SMILESc1c[nH]c(-c2noc(C3CNCC34CCCCC4)n2)n1
InChIInChI=1S/C14H19N5O/c1-2-4-14(5-3-1)9-15-8-10(14)13-18-12(19-20-13)11-16-6-7-17-11/h6-7,10,15H,1-5,8-9H2,(H,16,17)
InChIKeyKWVPPNSOJSDTRX-UHFFFAOYSA-N
XLogP2.10
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(2-azaspiro[4.5]decan-4-yl)-3-(1H-imidazol-2-yl)-1,2,4-oxadiazole 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 5-(2-azaspiro[4.5]decan-4-yl)-3-(1H-imidazol-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-azaspiro[4.5]decan-4-yl)-3-(1H-imidazol-2-yl)-1,2,4-oxadiazole (CID 138006780) is 5-(2-azaspiro[4.5]decan-4-yl)-3-(1H-imidazol-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-azaspiro[4.5]decan-4-yl)-3-(1H-imidazol-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-azaspiro[4.5]decan-4-yl)-3-(1H-imidazol-2-yl)-1,2,4-oxadiazole is c1c[nH]c(-c2noc(C3CNCC34CCCCC4)n2)n1.
What is the InChIKey of 5-(2-azaspiro[4.5]decan-4-yl)-3-(1H-imidazol-2-yl)-1,2,4-oxadiazole?
The InChIKey is KWVPPNSOJSDTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-2-4-14(5-3-1)9-15-8-10(14)13-18-12(19-20-13)11-16-6-7-17-11/h6-7,10,15H,1-5,8-9H2,(H,16,17).
What are the key properties of 5-(2-azaspiro[4.5]decan-4-yl)-3-(1H-imidazol-2-yl)-1,2,4-oxadiazole?
5-(2-azaspiro[4.5]decan-4-yl)-3-(1H-imidazol-2-yl)-1,2,4-oxadiazole has a molecular weight of 273.34 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-azaspiro[4.5]decan-4-yl)-3-(1H-imidazol-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 138006780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).