3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C14H20N4O3 — CID 38846214

IUPAC3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCCCc1noc(CN2C(=O)NC3(CCCCC3)C2=O)n1
InChIInChI=1S/C14H20N4O3/c1-2-6-10-15-11(21-17-10)9-18-12(19)14(16-13(18)20)7-4-3-5-8-14/h2-9H2,1H3,(H,16,20)
InChIKeyYESGYYUEUPOZPY-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.78
Rot. Bonds4

About 3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 38846214) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID38846214
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCCCc1noc(CN2C(=O)NC3(CCCCC3)C2=O)n1
InChIInChI=1S/C14H20N4O3/c1-2-6-10-15-11(21-17-10)9-18-12(19)14(16-13(18)20)7-4-3-5-8-14/h2-9H2,1H3,(H,16,20)
InChIKeyYESGYYUEUPOZPY-UHFFFAOYSA-N
XLogP1.78
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 38846214) is 3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is CCCc1noc(CN2C(=O)NC3(CCCCC3)C2=O)n1.
What is the InChIKey of 3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is YESGYYUEUPOZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-2-6-10-15-11(21-17-10)9-18-12(19)14(16-13(18)20)7-4-3-5-8-14/h2-9H2,1H3,(H,16,20).
What are the key properties of 3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 292.34 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 38846214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).