3-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C12H15N3O3 — CID 17490213

IUPAC3-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCc1cc(CN2C(=O)NC3(CCCC3)C2=O)on1
InChIInChI=1S/C12H15N3O3/c1-8-6-9(18-14-8)7-15-10(16)12(13-11(15)17)4-2-3-5-12/h6H,2-5,7H2,1H3,(H,13,17)
InChIKeyQUGYKZPREFEIJW-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.35
Rot. Bonds2

About 3-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

3-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 17490213) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 3-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID17490213
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name3-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCc1cc(CN2C(=O)NC3(CCCC3)C2=O)on1
InChIInChI=1S/C12H15N3O3/c1-8-6-9(18-14-8)7-15-10(16)12(13-11(15)17)4-2-3-5-12/h6H,2-5,7H2,1H3,(H,13,17)
InChIKeyQUGYKZPREFEIJW-UHFFFAOYSA-N
XLogP1.35
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.35
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-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 17490213) is 3-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is Cc1cc(CN2C(=O)NC3(CCCC3)C2=O)on1.
What is the InChIKey of 3-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is QUGYKZPREFEIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-8-6-9(18-14-8)7-15-10(16)12(13-11(15)17)4-2-3-5-12/h6H,2-5,7H2,1H3,(H,13,17).
What are the key properties of 3-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 249.27 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 17490213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).