molecular oxygen;oxadiazole

C2H2N2O3 — CID 175252421

IUPACmolecular oxygen;oxadiazole
SMILESO=O.c1conn1
InChIInChI=1S/C2H2N2O.O2/c1-2-5-4-3-1;1-2/h1-2H;
InChIKeyINWFQDMNLLCTGB-UHFFFAOYSA-N
MW102.05 g/mol
LogP0.14
Rot. Bonds

About molecular oxygen;oxadiazole

molecular oxygen;oxadiazole (PubChem CID 175252421) has the molecular formula C2H2N2O3 and a molecular weight of 102.05 g/mol. Its IUPAC name is molecular oxygen;oxadiazole.

Molecular Properties

Compound Namemolecular oxygen;oxadiazole
PubChem CID175252421
Molecular FormulaC2H2N2O3
Molecular Weight102.05 g/mol
Exact Mass102.01
IUPAC Namemolecular oxygen;oxadiazole
SMILESO=O.c1conn1
InChIInChI=1S/C2H2N2O.O2/c1-2-5-4-3-1;1-2/h1-2H;
InChIKeyINWFQDMNLLCTGB-UHFFFAOYSA-N
XLogP0.14
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.05
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

oxadiazole
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CID 70499190
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CID 174863608

Frequently Asked Questions

What is the IUPAC name of molecular oxygen;oxadiazole?
The IUPAC name of molecular oxygen;oxadiazole (CID 175252421) is molecular oxygen;oxadiazole.
What is the SMILES notation for molecular oxygen;oxadiazole?
The canonical SMILES for molecular oxygen;oxadiazole is O=O.c1conn1.
What is the InChIKey of molecular oxygen;oxadiazole?
The InChIKey is INWFQDMNLLCTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2N2O.O2/c1-2-5-4-3-1;1-2/h1-2H;.
What are the key properties of molecular oxygen;oxadiazole?
molecular oxygen;oxadiazole has a molecular weight of 102.05 g/mol, XLogP of 0.14, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for molecular oxygen;oxadiazole is sourced from PubChem (CID 175252421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).