3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C17H19N3O4 — CID 33268074

IUPAC3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCCCC2)C(=O)N1CCn1c(=O)oc2ccccc21
InChIInChI=1S/C17H19N3O4/c21-14-17(8-4-1-5-9-17)18-15(22)20(14)11-10-19-12-6-2-3-7-13(12)24-16(19)23/h2-3,6-7H,1,4-5,8-11H2,(H,18,22)
InChIKeyGDYAVHSADPFWDD-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.85
Rot. Bonds3

About 3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 33268074) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID33268074
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCCCC2)C(=O)N1CCn1c(=O)oc2ccccc21
InChIInChI=1S/C17H19N3O4/c21-14-17(8-4-1-5-9-17)18-15(22)20(14)11-10-19-12-6-2-3-7-13(12)24-16(19)23/h2-3,6-7H,1,4-5,8-11H2,(H,18,22)
InChIKeyGDYAVHSADPFWDD-UHFFFAOYSA-N
XLogP1.85
TPSA84.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
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 3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 33268074) is 3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is O=C1NC2(CCCCC2)C(=O)N1CCn1c(=O)oc2ccccc21.
What is the InChIKey of 3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is GDYAVHSADPFWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c21-14-17(8-4-1-5-9-17)18-15(22)20(14)11-10-19-12-6-2-3-7-13(12)24-16(19)23/h2-3,6-7H,1,4-5,8-11H2,(H,18,22).
What are the key properties of 3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 329.36 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 33268074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).