8-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C13H16N4O4 — CID 79164760

IUPAC8-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCc1nc(C)c(C(=O)N2CCC3(CC2)NC(=O)NC3=O)o1
InChIInChI=1S/C13H16N4O4/c1-7-9(21-8(2)14-7)10(18)17-5-3-13(4-6-17)11(19)15-12(20)16-13/h3-6H2,1-2H3,(H2,15,16,19,20)
InChIKeyNUSZIVYZCKHVLU-UHFFFAOYSA-N
MW292.30 g/mol
LogP0.11
Rot. Bonds1

About 8-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 79164760) has the molecular formula C13H16N4O4 and a molecular weight of 292.30 g/mol. Its IUPAC name is 8-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID79164760
Molecular FormulaC13H16N4O4
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC Name8-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCc1nc(C)c(C(=O)N2CCC3(CC2)NC(=O)NC3=O)o1
InChIInChI=1S/C13H16N4O4/c1-7-9(21-8(2)14-7)10(18)17-5-3-13(4-6-17)11(19)15-12(20)16-13/h3-6H2,1-2H3,(H2,15,16,19,20)
InChIKeyNUSZIVYZCKHVLU-UHFFFAOYSA-N
XLogP0.11
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 50.11
H-Bond Donors ≤ 52
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-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 79164760) is 8-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is Cc1nc(C)c(C(=O)N2CCC3(CC2)NC(=O)NC3=O)o1.
What is the InChIKey of 8-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is NUSZIVYZCKHVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4/c1-7-9(21-8(2)14-7)10(18)17-5-3-13(4-6-17)11(19)15-12(20)16-13/h3-6H2,1-2H3,(H2,15,16,19,20).
What are the key properties of 8-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 292.30 g/mol, XLogP of 0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 79164760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).