dibenzyl 1,3,4-oxadiazolidine-2,5-dicarboxylate

C18H18N2O5 — CID 166712789

IUPACdibenzyl 1,3,4-oxadiazolidine-2,5-dicarboxylate
SMILESO=C(OCc1ccccc1)C1NNC(C(=O)OCc2ccccc2)O1
InChIInChI=1S/C18H18N2O5/c21-17(23-11-13-7-3-1-4-8-13)15-19-20-16(25-15)18(22)24-12-14-9-5-2-6-10-14/h1-10,15-16,19-20H,11-12H2
InChIKeyHFRKOMIDJOOLKS-UHFFFAOYSA-N
MW342.35 g/mol
LogP1.25
Rot. Bonds6

About dibenzyl 1,3,4-oxadiazolidine-2,5-dicarboxylate

dibenzyl 1,3,4-oxadiazolidine-2,5-dicarboxylate (PubChem CID 166712789) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is dibenzyl 1,3,4-oxadiazolidine-2,5-dicarboxylate.

Molecular Properties

Compound Namedibenzyl 1,3,4-oxadiazolidine-2,5-dicarboxylate
PubChem CID166712789
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Namedibenzyl 1,3,4-oxadiazolidine-2,5-dicarboxylate
SMILESO=C(OCc1ccccc1)C1NNC(C(=O)OCc2ccccc2)O1
InChIInChI=1S/C18H18N2O5/c21-17(23-11-13-7-3-1-4-8-13)15-19-20-16(25-15)18(22)24-12-14-9-5-2-6-10-14/h1-10,15-16,19-20H,11-12H2
InChIKeyHFRKOMIDJOOLKS-UHFFFAOYSA-N
XLogP1.25
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

dibenzyl 7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 23520450
benzyl 1,3-dioxole-2-carboxylate
CID 91151024
dibenzyl bicyclo[2.2.2]octane-2,3-dicarboxylate
CID 90715861
benzyl 2,5-dioxocyclopentane-1-carboxylate
CID 59459130
(1S,2R,3S,4R)-3-phenylmethoxycarbonyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 11288818
benzyl 4-(2-bromoethyl)-5-oxo-1,3-oxazolidine-2-carboxylate
CID 54182273
cis-(1R,2S)-2-phenylmethoxycarbonylcyclopropane-1-carboxylic acid
CID 70818190
dibenzyl cyclopentane-1,3-dicarboxylate
CID 90178451
2-O-benzyl 3-O-butyl (2S,3R)-oxirane-2,3-dicarboxylate
CID 11161750
benzyl 3-(1,1,2,2,2-pentafluoroethyl)oxirane-2-carboxylate
CID 102421799
azane;benzyl 3-phenylpropanoate
CID 175136325
benzyl (4S)-2-oxo-1,3-oxazinane-4-carboxylate
CID 59668959

Frequently Asked Questions

What is the IUPAC name of dibenzyl 1,3,4-oxadiazolidine-2,5-dicarboxylate?
The IUPAC name of dibenzyl 1,3,4-oxadiazolidine-2,5-dicarboxylate (CID 166712789) is dibenzyl 1,3,4-oxadiazolidine-2,5-dicarboxylate.
What is the SMILES notation for dibenzyl 1,3,4-oxadiazolidine-2,5-dicarboxylate?
The canonical SMILES for dibenzyl 1,3,4-oxadiazolidine-2,5-dicarboxylate is O=C(OCc1ccccc1)C1NNC(C(=O)OCc2ccccc2)O1.
What is the InChIKey of dibenzyl 1,3,4-oxadiazolidine-2,5-dicarboxylate?
The InChIKey is HFRKOMIDJOOLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c21-17(23-11-13-7-3-1-4-8-13)15-19-20-16(25-15)18(22)24-12-14-9-5-2-6-10-14/h1-10,15-16,19-20H,11-12H2.
What are the key properties of dibenzyl 1,3,4-oxadiazolidine-2,5-dicarboxylate?
dibenzyl 1,3,4-oxadiazolidine-2,5-dicarboxylate has a molecular weight of 342.35 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl 1,3,4-oxadiazolidine-2,5-dicarboxylate is sourced from PubChem (CID 166712789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).