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

C13H17N3O3 — CID 8949145

IUPAC3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCc1cc(CN2C(=O)NC3(CCCCC3)C2=O)no1
InChIInChI=1S/C13H17N3O3/c1-9-7-10(15-19-9)8-16-11(17)13(14-12(16)18)5-3-2-4-6-13/h7H,2-6,8H2,1H3,(H,14,18)
InChIKeySKZCOWXWHJQJMN-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.74
Rot. Bonds2

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

3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 8949145) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID8949145
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCc1cc(CN2C(=O)NC3(CCCCC3)C2=O)no1
InChIInChI=1S/C13H17N3O3/c1-9-7-10(15-19-9)8-16-11(17)13(14-12(16)18)5-3-2-4-6-13/h7H,2-6,8H2,1H3,(H,14,18)
InChIKeySKZCOWXWHJQJMN-UHFFFAOYSA-N
XLogP1.74
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 8949145) is 3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is Cc1cc(CN2C(=O)NC3(CCCCC3)C2=O)no1.
What is the InChIKey of 3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is SKZCOWXWHJQJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-9-7-10(15-19-9)8-16-11(17)13(14-12(16)18)5-3-2-4-6-13/h7H,2-6,8H2,1H3,(H,14,18).
What are the key properties of 3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 263.30 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 8949145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).