1-benzyl-8-(1,2-oxazole-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C18H18N4O4 — CID 165424928

IUPAC1-benzyl-8-(1,2-oxazole-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C(c1ccon1)N1CCC2(CC1)C(=O)NC(=O)N2Cc1ccccc1
InChIInChI=1S/C18H18N4O4/c23-15(14-6-11-26-20-14)21-9-7-18(8-10-21)16(24)19-17(25)22(18)12-13-4-2-1-3-5-13/h1-6,11H,7-10,12H2,(H,19,24,25)
InChIKeyWMFRUSMDBVGJFO-UHFFFAOYSA-N
MW354.37 g/mol
LogP1.40
Rot. Bonds3

About 1-benzyl-8-(1,2-oxazole-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

1-benzyl-8-(1,2-oxazole-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 165424928) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is 1-benzyl-8-(1,2-oxazole-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name1-benzyl-8-(1,2-oxazole-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID165424928
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC Name1-benzyl-8-(1,2-oxazole-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C(c1ccon1)N1CCC2(CC1)C(=O)NC(=O)N2Cc1ccccc1
InChIInChI=1S/C18H18N4O4/c23-15(14-6-11-26-20-14)21-9-7-18(8-10-21)16(24)19-17(25)22(18)12-13-4-2-1-3-5-13/h1-6,11H,7-10,12H2,(H,19,24,25)
InChIKeyWMFRUSMDBVGJFO-UHFFFAOYSA-N
XLogP1.40
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-8-(cyclobutanecarbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165427416
1-benzyl-8-(2-ethoxyacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165418293
benzene;1,2-oxazol-3-yl(pyrrolidin-1-yl)methanone
CID 167484647
1-benzyl-8-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165427848
1-benzyl-8-[2-(2-oxopyrimidin-1-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165417874
1-benzyl-8-[4-(1,2,4-triazol-1-yl)butanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165419853
1-benzyl-8-morpholin-4-ylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165418331
1-benzyl-8-(1-phenyltetrazol-5-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 164694389
1-benzyl-3-methyl-8-(2H-triazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165427262
1-benzyl-3-methyl-8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165421538
1-benzyl-8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166623129
3-[1-(1,2-oxazole-3-carbonyl)piperidin-4-yl]propanoic acid
CID 62215797

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-8-(1,2-oxazole-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 1-benzyl-8-(1,2-oxazole-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 165424928) is 1-benzyl-8-(1,2-oxazole-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 1-benzyl-8-(1,2-oxazole-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 1-benzyl-8-(1,2-oxazole-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is O=C(c1ccon1)N1CCC2(CC1)C(=O)NC(=O)N2Cc1ccccc1.
What is the InChIKey of 1-benzyl-8-(1,2-oxazole-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is WMFRUSMDBVGJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c23-15(14-6-11-26-20-14)21-9-7-18(8-10-21)16(24)19-17(25)22(18)12-13-4-2-1-3-5-13/h1-6,11H,7-10,12H2,(H,19,24,25).
What are the key properties of 1-benzyl-8-(1,2-oxazole-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
1-benzyl-8-(1,2-oxazole-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 354.37 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-8-(1,2-oxazole-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 165424928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).