9-[(5-methyl-1,3-oxazol-2-yl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione

C13H15N3O4 — CID 106377426

IUPAC9-[(5-methyl-1,3-oxazol-2-yl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione
SMILESCc1cnc(CN2C(=O)NC(=O)C3(CCCC3)C2=O)o1
InChIInChI=1S/C13H15N3O4/c1-8-6-14-9(20-8)7-16-11(18)13(4-2-3-5-13)10(17)15-12(16)19/h6H,2-5,7H2,1H3,(H,15,17,19)
InChIKeyJBAPPKRGQNCPJS-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.12
Rot. Bonds2

About 9-[(5-methyl-1,3-oxazol-2-yl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione

9-[(5-methyl-1,3-oxazol-2-yl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione (PubChem CID 106377426) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 9-[(5-methyl-1,3-oxazol-2-yl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione.

Molecular Properties

Compound Name9-[(5-methyl-1,3-oxazol-2-yl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione
PubChem CID106377426
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name9-[(5-methyl-1,3-oxazol-2-yl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione
SMILESCc1cnc(CN2C(=O)NC(=O)C3(CCCC3)C2=O)o1
InChIInChI=1S/C13H15N3O4/c1-8-6-14-9(20-8)7-16-11(18)13(4-2-3-5-13)10(17)15-12(16)19/h6H,2-5,7H2,1H3,(H,15,17,19)
InChIKeyJBAPPKRGQNCPJS-UHFFFAOYSA-N
XLogP1.12
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.12
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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Frequently Asked Questions

What is the IUPAC name of 9-[(5-methyl-1,3-oxazol-2-yl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The IUPAC name of 9-[(5-methyl-1,3-oxazol-2-yl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione (CID 106377426) is 9-[(5-methyl-1,3-oxazol-2-yl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione.
What is the SMILES notation for 9-[(5-methyl-1,3-oxazol-2-yl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The canonical SMILES for 9-[(5-methyl-1,3-oxazol-2-yl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione is Cc1cnc(CN2C(=O)NC(=O)C3(CCCC3)C2=O)o1.
What is the InChIKey of 9-[(5-methyl-1,3-oxazol-2-yl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The InChIKey is JBAPPKRGQNCPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-8-6-14-9(20-8)7-16-11(18)13(4-2-3-5-13)10(17)15-12(16)19/h6H,2-5,7H2,1H3,(H,15,17,19).
What are the key properties of 9-[(5-methyl-1,3-oxazol-2-yl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione?
9-[(5-methyl-1,3-oxazol-2-yl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione has a molecular weight of 277.28 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(5-methyl-1,3-oxazol-2-yl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione is sourced from PubChem (CID 106377426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).