1-benzyl-8-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C20H23N5O3 — CID 165422795

IUPAC1-benzyl-8-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCN1C(=O)N(Cc2ccccc2)C2(CCN(c3noc(C4CC4)n3)CC2)C1=O
InChIInChI=1S/C20H23N5O3/c1-23-17(26)20(25(19(23)27)13-14-5-3-2-4-6-14)9-11-24(12-10-20)18-21-16(28-22-18)15-7-8-15/h2-6,15H,7-13H2,1H3
InChIKeyMAYDEDRUBWXZHR-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.38
Rot. Bonds4

About 1-benzyl-8-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

1-benzyl-8-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 165422795) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 1-benzyl-8-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name1-benzyl-8-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID165422795
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name1-benzyl-8-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCN1C(=O)N(Cc2ccccc2)C2(CCN(c3noc(C4CC4)n3)CC2)C1=O
InChIInChI=1S/C20H23N5O3/c1-23-17(26)20(25(19(23)27)13-14-5-3-2-4-6-14)9-11-24(12-10-20)18-21-16(28-22-18)15-7-8-15/h2-6,15H,7-13H2,1H3
InChIKeyMAYDEDRUBWXZHR-UHFFFAOYSA-N
XLogP2.38
TPSA82.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,8-dibenzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26143670
1-benzyl-3-methyl-8-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165418741
8-acetyl-1-benzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165428469
1-benzyl-8-(6-ethyl-5-fluoropyrimidin-4-yl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165417701
1-benzyl-8-[6-(methoxymethyl)pyrimidin-4-yl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165419738
1-benzyl-3-methyl-8-[[4-(N-methylanilino)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26146896
1-benzyl-3-methyl-8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165421538
1-benzyl-3-methyl-8-(pyridazine-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165420624
1-benzyl-3-methyl-8-(1-methylimidazole-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165427381
1-benzyl-3-methyl-8-(2H-triazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165427262
8-[(2S)-2-amino-2-phenylacetyl]-1-benzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 166598743
2-[1-benzyl-8-(4-methylpyrimidin-2-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide
CID 166614232

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-8-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 1-benzyl-8-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 165422795) is 1-benzyl-8-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 1-benzyl-8-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 1-benzyl-8-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CN1C(=O)N(Cc2ccccc2)C2(CCN(c3noc(C4CC4)n3)CC2)C1=O.
What is the InChIKey of 1-benzyl-8-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is MAYDEDRUBWXZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-23-17(26)20(25(19(23)27)13-14-5-3-2-4-6-14)9-11-24(12-10-20)18-21-16(28-22-18)15-7-8-15/h2-6,15H,7-13H2,1H3.
What are the key properties of 1-benzyl-8-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
1-benzyl-8-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 381.44 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-8-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 165422795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).