2-benzyloxadiazolidin-4-one

C9H10N2O2 — CID 18679277

IUPAC2-benzyloxadiazolidin-4-one
SMILESO=C1CON(Cc2ccccc2)N1
InChIInChI=1S/C9H10N2O2/c12-9-7-13-11(10-9)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,12)
InChIKeyOXQIKXMXIRITQK-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.47
Rot. Bonds2

About 2-benzyloxadiazolidin-4-one

2-benzyloxadiazolidin-4-one (PubChem CID 18679277) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-benzyloxadiazolidin-4-one.

Molecular Properties

Compound Name2-benzyloxadiazolidin-4-one
PubChem CID18679277
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name2-benzyloxadiazolidin-4-one
SMILESO=C1CON(Cc2ccccc2)N1
InChIInChI=1S/C9H10N2O2/c12-9-7-13-11(10-9)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,12)
InChIKeyOXQIKXMXIRITQK-UHFFFAOYSA-N
XLogP0.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-1,2,4-triazinane-3,6-dione
CID 13133639
1-benzyl-2-methylimidazolidin-4-one
CID 138110115
1-benzyl-1,3-diazetidine
CID 67702530
10-benzyl-1,4-dioxa-7,10,13-triazacyclopentadecane-6,14-dione
CID 10088312
(5S)-1,5-dibenzylpyrazolidin-3-one
CID 102075291
3-benzyl-1H-2,3-benzoxazin-4-one
CID 134095286
3-benzyl-3-azabicyclo[3.1.1]heptan-6-one
CID 47003605
4-benzyl-1,2,4-thiadiazolidine-3,5-dione
CID 22507205
(5R)-1-benzyl-5-propan-2-ylpyrazolidin-3-one
CID 102075289
1-benzyl-3,3,4,4-tetradeuteriopyrrolidine-2,5-dione
CID 171688557
2-benzyl-4,5-dichloro-1,3-dihydropyridazin-6-one
CID 18991295
4-benzyl-1-phenyl-1,2,4-triazinan-3-one
CID 10587904

Frequently Asked Questions

What is the IUPAC name of 2-benzyloxadiazolidin-4-one?
The IUPAC name of 2-benzyloxadiazolidin-4-one (CID 18679277) is 2-benzyloxadiazolidin-4-one.
What is the SMILES notation for 2-benzyloxadiazolidin-4-one?
The canonical SMILES for 2-benzyloxadiazolidin-4-one is O=C1CON(Cc2ccccc2)N1.
What is the InChIKey of 2-benzyloxadiazolidin-4-one?
The InChIKey is OXQIKXMXIRITQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c12-9-7-13-11(10-9)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,12).
What are the key properties of 2-benzyloxadiazolidin-4-one?
2-benzyloxadiazolidin-4-one has a molecular weight of 178.19 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyloxadiazolidin-4-one is sourced from PubChem (CID 18679277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).