2-benzyl-1,2,4-oxadiazolidine-3,5-dione

C9H8N2O3 — CID 15307818

IUPAC2-benzyl-1,2,4-oxadiazolidine-3,5-dione
SMILESO=c1[nH]c(=O)n(Cc2ccccc2)o1
InChIInChI=1S/C9H8N2O3/c12-8-10-9(13)14-11(8)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,12,13)
InChIKeyBKNQIORDYCCANN-UHFFFAOYSA-N
MW192.17 g/mol
LogP0.18
Rot. Bonds2

About 2-benzyl-1,2,4-oxadiazolidine-3,5-dione

2-benzyl-1,2,4-oxadiazolidine-3,5-dione (PubChem CID 15307818) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 2-benzyl-1,2,4-oxadiazolidine-3,5-dione.

Molecular Properties

Compound Name2-benzyl-1,2,4-oxadiazolidine-3,5-dione
PubChem CID15307818
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name2-benzyl-1,2,4-oxadiazolidine-3,5-dione
SMILESO=c1[nH]c(=O)n(Cc2ccccc2)o1
InChIInChI=1S/C9H8N2O3/c12-8-10-9(13)14-11(8)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,12,13)
InChIKeyBKNQIORDYCCANN-UHFFFAOYSA-N
XLogP0.18
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-benzyl-1,2,4-oxadiazolidine-3,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[4-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenyl]sulfanyloxysulfanylphenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
CID 19038434
3,5-bis[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]benzamide
CID 19038530
2-[[4-[[(Z)-3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]prop-1-enoxy]methyl]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
CID 58840943
2-[[1-benzyl-5-(naphthalen-2-ylmethoxy)indol-3-yl]methyl]-1,2,4-oxadiazolidine-3,5-dione
CID 11271505
2-benzyl-5-methyl-1H-pyrazol-3-one
CID 2384263
3-amino-2-benzyl-4-ethyl-1,2-oxazol-5-one
CID 121011580
1-benzyl-4-sulfanylidenepyrimidin-2-one
CID 91621363
2-benzyl-5-methyl-1H-pyrazol-3-one;ethane
CID 143774667
4-benzyl-1,2,4-thiadiazolidine-3,5-dione
CID 22507205
2-[[3-[[5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
CID 10671245
1-benzyl-5-hydroxypyrimidine-2,4-dione
CID 130005673
2-[[4-[(3-oxo-5-phenyl-1,2,4-oxadiazol-2-yl)methyl]phenyl]methyl]-5-phenyl-1,2,4-oxadiazol-3-one
CID 166211993

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1,2,4-oxadiazolidine-3,5-dione?
The IUPAC name of 2-benzyl-1,2,4-oxadiazolidine-3,5-dione (CID 15307818) is 2-benzyl-1,2,4-oxadiazolidine-3,5-dione.
What is the SMILES notation for 2-benzyl-1,2,4-oxadiazolidine-3,5-dione?
The canonical SMILES for 2-benzyl-1,2,4-oxadiazolidine-3,5-dione is O=c1[nH]c(=O)n(Cc2ccccc2)o1.
What is the InChIKey of 2-benzyl-1,2,4-oxadiazolidine-3,5-dione?
The InChIKey is BKNQIORDYCCANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c12-8-10-9(13)14-11(8)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,12,13).
What are the key properties of 2-benzyl-1,2,4-oxadiazolidine-3,5-dione?
2-benzyl-1,2,4-oxadiazolidine-3,5-dione has a molecular weight of 192.17 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1,2,4-oxadiazolidine-3,5-dione is sourced from PubChem (CID 15307818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).