2-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one

C20H26N4O2 — CID 70776090

IUPAC2-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCNCC2)CN1CCc1nc(Cc2ccccc2)no1
InChIInChI=1S/C20H26N4O2/c25-19-6-8-20(9-11-21-12-10-20)15-24(19)13-7-18-22-17(23-26-18)14-16-4-2-1-3-5-16/h1-5,21H,6-15H2
InChIKeySGRDTDGSSHMDPT-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.20
Rot. Bonds5

About 2-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one

2-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70776090) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70776090
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name2-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCNCC2)CN1CCc1nc(Cc2ccccc2)no1
InChIInChI=1S/C20H26N4O2/c25-19-6-8-20(9-11-21-12-10-20)15-24(19)13-7-18-22-17(23-26-18)14-16-4-2-1-3-5-16/h1-5,21H,6-15H2
InChIKeySGRDTDGSSHMDPT-UHFFFAOYSA-N
XLogP2.20
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one 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-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70784663
3-benzyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 63123739
9-benzyl-3,9-diazaspiro[5.6]dodecan-10-one;hydrochloride
CID 146064547
3-benzyl-5-(1,4-diazepan-1-ylmethyl)-1,2,4-oxadiazole;hydrochloride
CID 119906219
2-benzyl-9-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70756757
3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-methylpropan-1-amine
CID 43152030
3-benzyl-5-(4-methoxypiperidin-4-yl)-1,2,4-oxadiazole
CID 100656099
3-benzyl-5-(3-chloropropyl)-1,2,4-oxadiazole
CID 43513464
1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutan-1-amine
CID 79845957
2-[3-(pyridin-3-ylamino)propyl]-2,9-diazaspiro[5.5]undecan-3-one;dihydrochloride
CID 154925020
3-benzyl-5-[2-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]ethyl]-1,2,4-oxadiazole;dihydrochloride
CID 154895537
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70776926

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 70776090) is 2-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCNCC2)CN1CCc1nc(Cc2ccccc2)no1.
What is the InChIKey of 2-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is SGRDTDGSSHMDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c25-19-6-8-20(9-11-21-12-10-20)15-24(19)13-7-18-22-17(23-26-18)14-16-4-2-1-3-5-16/h1-5,21H,6-15H2.
What are the key properties of 2-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 354.45 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70776090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).