(5S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)-2,7-diazaspiro[4.5]decan-6-one

C16H18N4O2 — CID 97112209

IUPAC(5S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1NCCC[C@@]12CCN(c1noc(-c3ccccc3)n1)C2
InChIInChI=1S/C16H18N4O2/c21-14-16(7-4-9-17-14)8-10-20(11-16)15-18-13(22-19-15)12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2,(H,17,21)/t16-/m0/s1
InChIKeyPMEUSPYUSSNBST-INIZCTEOSA-N
MW298.35 g/mol
LogP1.84
Rot. Bonds2

About (5S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)-2,7-diazaspiro[4.5]decan-6-one

(5S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97112209) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is (5S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97112209
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name(5S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1NCCC[C@@]12CCN(c1noc(-c3ccccc3)n1)C2
InChIInChI=1S/C16H18N4O2/c21-14-16(7-4-9-17-14)8-10-20(11-16)15-18-13(22-19-15)12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2,(H,17,21)/t16-/m0/s1
InChIKeyPMEUSPYUSSNBST-INIZCTEOSA-N
XLogP1.84
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)-2,7-diazaspiro[4.5]decan-6-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

(3R)-1'-(5-phenyl-1,2,4-oxadiazol-3-yl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 95707316
[(3R)-3-benzyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]methanol
CID 95223927
(5S)-3-methyl-9-(5-phenyl-1,2,4-oxadiazol-3-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95717468
3-phenyl-8-(5-phenyl-1,2,4-oxadiazol-3-yl)-1,8-diazaspiro[4.5]decan-2-one
CID 119070010
1-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)-9-oxa-1,4-diazaspiro[5.5]undecane
CID 139599368
3-(imidazol-1-ylmethyl)-8-(5-phenyl-1,2,4-oxadiazol-3-yl)-2-oxa-8-azaspiro[4.5]decan-1-one
CID 171915437
9-benzyl-2,9-diazaspiro[5.5]undecan-1-one
CID 118960394
2-(5-methyl-2-phenyl-1H-imidazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72926019
(3R,4R)-3-benzyl-4-hydroxy-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-3-carboxylic acid
CID 163309435
2-(2-methoxyethyl)-9-(5-phenyl-1,2,4-oxadiazol-3-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70731379
(5R)-2-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one
CID 97140262
5-phenyl-3-(4-pyridazin-3-ylpiperazin-1-yl)-1,2,4-oxadiazole
CID 133482718

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)-2,7-diazaspiro[4.5]decan-6-one (CID 97112209) is (5S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)-2,7-diazaspiro[4.5]decan-6-one is O=C1NCCC[C@@]12CCN(c1noc(-c3ccccc3)n1)C2.
What is the InChIKey of (5S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is PMEUSPYUSSNBST-INIZCTEOSA-N. The full InChI is InChI=1S/C16H18N4O2/c21-14-16(7-4-9-17-14)8-10-20(11-16)15-18-13(22-19-15)12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2,(H,17,21)/t16-/m0/s1.
What are the key properties of (5S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)-2,7-diazaspiro[4.5]decan-6-one?
(5S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 298.35 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97112209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).