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

C18H20N4O3 — CID 2093698

IUPAC8-methyl-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCC2(CC1)NC(=O)N(Cc1nc(-c3ccccc3)no1)C2=O
InChIInChI=1S/C18H20N4O3/c1-12-7-9-18(10-8-12)16(23)22(17(24)20-18)11-14-19-15(21-25-14)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H,20,24)
InChIKeySOXUDRNGHHCLQK-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.74
Rot. Bonds3

About 8-methyl-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

8-methyl-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 2093698) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 8-methyl-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-methyl-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID2093698
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name8-methyl-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCC2(CC1)NC(=O)N(Cc1nc(-c3ccccc3)no1)C2=O
InChIInChI=1S/C18H20N4O3/c1-12-7-9-18(10-8-12)16(23)22(17(24)20-18)11-14-19-15(21-25-14)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H,20,24)
InChIKeySOXUDRNGHHCLQK-UHFFFAOYSA-N
XLogP2.74
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.74
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 8-methyl-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-methyl-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 2093698) is 8-methyl-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-methyl-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-methyl-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is CC1CCC2(CC1)NC(=O)N(Cc1nc(-c3ccccc3)no1)C2=O.
What is the InChIKey of 8-methyl-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is SOXUDRNGHHCLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-12-7-9-18(10-8-12)16(23)22(17(24)20-18)11-14-19-15(21-25-14)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H,20,24).
What are the key properties of 8-methyl-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
8-methyl-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 340.38 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 2093698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).