3-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C16H23N5O3 — CID 120857219

IUPAC3-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCC(c1nc(C2(N)CCCC2)no1)N1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C16H23N5O3/c1-10(11-18-12(20-24-11)15(17)6-2-3-7-15)21-13(22)16(19-14(21)23)8-4-5-9-16/h10H,2-9,17H2,1H3,(H,19,23)
InChIKeyHAXNDKMVGBGELK-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.72
Rot. Bonds3

About 3-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

3-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 120857219) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID120857219
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name3-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCC(c1nc(C2(N)CCCC2)no1)N1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C16H23N5O3/c1-10(11-18-12(20-24-11)15(17)6-2-3-7-15)21-13(22)16(19-14(21)23)8-4-5-9-16/h10H,2-9,17H2,1H3,(H,19,23)
InChIKeyHAXNDKMVGBGELK-UHFFFAOYSA-N
XLogP1.72
TPSA114.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

1-[5-[1-(azepan-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859136
1-[5-[(1S)-1-(dimethylamino)-2-methylpropyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120857536
1-[5-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859773
3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 120861919
3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 120853033
N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide;hydrochloride
CID 120854836
1-[5-(1-phenoxyethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120853877
N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-methylbenzenesulfonamide
CID 120853109
N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzamide;hydrochloride
CID 120853886
(2R)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoic acid
CID 51664154
1-[5-[1-(3-fluorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120850813
1-[5-(1-phenylmethoxyethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853454

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 120857219) is 3-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is CC(c1nc(C2(N)CCCC2)no1)N1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of 3-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is HAXNDKMVGBGELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-10(11-18-12(20-24-11)15(17)6-2-3-7-15)21-13(22)16(19-14(21)23)8-4-5-9-16/h10H,2-9,17H2,1H3,(H,19,23).
What are the key properties of 3-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 333.39 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 120857219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).