4-[(5-methyl-1,3-oxazol-2-yl)methyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione

C14H17N3O4 — CID 106377422

IUPAC4-[(5-methyl-1,3-oxazol-2-yl)methyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione
SMILESCc1cnc(CN2C(=O)NC(=O)C3(CCCCC3)C2=O)o1
InChIInChI=1S/C14H17N3O4/c1-9-7-15-10(21-9)8-17-12(19)14(5-3-2-4-6-14)11(18)16-13(17)20/h7H,2-6,8H2,1H3,(H,16,18,20)
InChIKeyMDFHDWPBCYVVGF-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.51
Rot. Bonds2

About 4-[(5-methyl-1,3-oxazol-2-yl)methyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione

4-[(5-methyl-1,3-oxazol-2-yl)methyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione (PubChem CID 106377422) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 4-[(5-methyl-1,3-oxazol-2-yl)methyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione.

Molecular Properties

Compound Name4-[(5-methyl-1,3-oxazol-2-yl)methyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione
PubChem CID106377422
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name4-[(5-methyl-1,3-oxazol-2-yl)methyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione
SMILESCc1cnc(CN2C(=O)NC(=O)C3(CCCCC3)C2=O)o1
InChIInChI=1S/C14H17N3O4/c1-9-7-15-10(21-9)8-17-12(19)14(5-3-2-4-6-14)11(18)16-13(17)20/h7H,2-6,8H2,1H3,(H,16,18,20)
InChIKeyMDFHDWPBCYVVGF-UHFFFAOYSA-N
XLogP1.51
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

9-[(5-methyl-1,3-oxazol-2-yl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 106377426
8-[(5-methylfuran-2-yl)methyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112600468
7-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 106377433
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione
CID 106410048
8-ethyl-9-[(5-methyl-1,3-oxazol-2-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 106377071
4-(1,3-thiazol-2-ylmethyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione
CID 115947293
9-[(4-methyl-3-pyridinyl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 114958048
9-[(1-methylpyrazol-3-yl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115949050
7-[(1,5-dimethylpyrazol-4-yl)methyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 106040440
7-[(3-methyl-1,2-oxazol-5-yl)methyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112599878
4-(2-methoxyethyl)-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
CID 112598636
4-(oxan-4-ylmethyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione
CID 115948147

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1,3-oxazol-2-yl)methyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione?
The IUPAC name of 4-[(5-methyl-1,3-oxazol-2-yl)methyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione (CID 106377422) is 4-[(5-methyl-1,3-oxazol-2-yl)methyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione.
What is the SMILES notation for 4-[(5-methyl-1,3-oxazol-2-yl)methyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione?
The canonical SMILES for 4-[(5-methyl-1,3-oxazol-2-yl)methyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione is Cc1cnc(CN2C(=O)NC(=O)C3(CCCCC3)C2=O)o1.
What is the InChIKey of 4-[(5-methyl-1,3-oxazol-2-yl)methyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione?
The InChIKey is MDFHDWPBCYVVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-9-7-15-10(21-9)8-17-12(19)14(5-3-2-4-6-14)11(18)16-13(17)20/h7H,2-6,8H2,1H3,(H,16,18,20).
What are the key properties of 4-[(5-methyl-1,3-oxazol-2-yl)methyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione?
4-[(5-methyl-1,3-oxazol-2-yl)methyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione has a molecular weight of 291.31 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1,3-oxazol-2-yl)methyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione is sourced from PubChem (CID 106377422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).