3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione

C17H20N4O4 — CID 71942995

IUPAC3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
SMILESO=C1NC2(CCCCCCC2)C(=O)N1Cc1nc(-c2ccco2)no1
InChIInChI=1S/C17H20N4O4/c22-15-17(8-4-2-1-3-5-9-17)19-16(23)21(15)11-13-18-14(20-25-13)12-7-6-10-24-12/h6-7,10H,1-5,8-9,11H2,(H,19,23)
InChIKeyHBZPGYLUJOMUGN-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.86
Rot. Bonds3

About 3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione

3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione (PubChem CID 71942995) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione.

Molecular Properties

Compound Name3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
PubChem CID71942995
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
SMILESO=C1NC2(CCCCCCC2)C(=O)N1Cc1nc(-c2ccco2)no1
InChIInChI=1S/C17H20N4O4/c22-15-17(8-4-2-1-3-5-9-17)19-16(23)21(15)11-13-18-14(20-25-13)12-7-6-10-24-12/h6-7,10H,1-5,8-9,11H2,(H,19,23)
InChIKeyHBZPGYLUJOMUGN-UHFFFAOYSA-N
XLogP2.86
TPSA101.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?
The IUPAC name of 3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione (CID 71942995) is 3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione.
What is the SMILES notation for 3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?
The canonical SMILES for 3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione is O=C1NC2(CCCCCCC2)C(=O)N1Cc1nc(-c2ccco2)no1.
What is the InChIKey of 3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?
The InChIKey is HBZPGYLUJOMUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c22-15-17(8-4-2-1-3-5-9-17)19-16(23)21(15)11-13-18-14(20-25-13)12-7-6-10-24-12/h6-7,10H,1-5,8-9,11H2,(H,19,23).
What are the key properties of 3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?
3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione has a molecular weight of 344.37 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione is sourced from PubChem (CID 71942995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).