5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-3-propan-2-yl-1,2,4-oxadiazole

C15H26N4O — CID 102850060

IUPAC5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(CN2CCCC3(CCCNC3)C2)n1
InChIInChI=1S/C15H26N4O/c1-12(2)14-17-13(20-18-14)9-19-8-4-6-15(11-19)5-3-7-16-10-15/h12,16H,3-11H2,1-2H3
InChIKeyWALKJLWEOAQBTN-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.16
Rot. Bonds3

About 5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-3-propan-2-yl-1,2,4-oxadiazole

5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 102850060) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID102850060
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(CN2CCCC3(CCCNC3)C2)n1
InChIInChI=1S/C15H26N4O/c1-12(2)14-17-13(20-18-14)9-19-8-4-6-15(11-19)5-3-7-16-10-15/h12,16H,3-11H2,1-2H3
InChIKeyWALKJLWEOAQBTN-UHFFFAOYSA-N
XLogP2.16
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-3-propan-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

Related Compounds

2-tert-butyl-5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-1,3,4-oxadiazole
CID 102850431
3-tert-butyl-5-[[2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1,2,4-oxadiazole
CID 166211940
1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
CID 43556709
6-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole
CID 102850313
(3R)-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 129483683
3-(1-methoxyethyl)-5-[[4-[(3-methylpyrrolidin-3-yl)methyl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride
CID 120901647
2-[(2,4,6-trimethylphenyl)methyl]-2,8-diazaspiro[5.5]undecane
CID 102849325
5-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 66202752
5-[[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 171992903
2-[(6-methoxy-3-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecane
CID 102849320
1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol
CID 60719354
2-(2-phenylpropyl)-2,8-diazaspiro[5.5]undecane
CID 102849255

Frequently Asked Questions

What is the IUPAC name of 5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-3-propan-2-yl-1,2,4-oxadiazole (CID 102850060) is 5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-3-propan-2-yl-1,2,4-oxadiazole is CC(C)c1noc(CN2CCCC3(CCCNC3)C2)n1.
What is the InChIKey of 5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is WALKJLWEOAQBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-12(2)14-17-13(20-18-14)9-19-8-4-6-15(11-19)5-3-7-16-10-15/h12,16H,3-11H2,1-2H3.
What are the key properties of 5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-3-propan-2-yl-1,2,4-oxadiazole?
5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 278.40 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 102850060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).