6H-furo[3,4-c][1,2,5]oxadiazol-4-one

C4H2N2O3 — CID 58941798

IUPAC6H-furo[3,4-c][1,2,5]oxadiazol-4-one
SMILESO=C1OCc2nonc21
InChIInChI=1S/C4H2N2O3/c7-4-3-2(1-8-4)5-9-6-3/h1H2
InChIKeyHTBHBWVPYXTMLM-UHFFFAOYSA-N
MW126.07 g/mol
LogP-0.26
Rot. Bonds

About 6H-furo[3,4-c][1,2,5]oxadiazol-4-one

6H-furo[3,4-c][1,2,5]oxadiazol-4-one (PubChem CID 58941798) has the molecular formula C4H2N2O3 and a molecular weight of 126.07 g/mol. Its IUPAC name is 6H-furo[3,4-c][1,2,5]oxadiazol-4-one.

Molecular Properties

Compound Name6H-furo[3,4-c][1,2,5]oxadiazol-4-one
PubChem CID58941798
Molecular FormulaC4H2N2O3
Molecular Weight126.07 g/mol
Exact Mass126.01
IUPAC Name6H-furo[3,4-c][1,2,5]oxadiazol-4-one
SMILESO=C1OCc2nonc21
InChIInChI=1S/C4H2N2O3/c7-4-3-2(1-8-4)5-9-6-3/h1H2
InChIKeyHTBHBWVPYXTMLM-UHFFFAOYSA-N
XLogP-0.26
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.07
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6H-furo[3,4-c][1,2,5]oxadiazol-4-one?
The IUPAC name of 6H-furo[3,4-c][1,2,5]oxadiazol-4-one (CID 58941798) is 6H-furo[3,4-c][1,2,5]oxadiazol-4-one.
What is the SMILES notation for 6H-furo[3,4-c][1,2,5]oxadiazol-4-one?
The canonical SMILES for 6H-furo[3,4-c][1,2,5]oxadiazol-4-one is O=C1OCc2nonc21.
What is the InChIKey of 6H-furo[3,4-c][1,2,5]oxadiazol-4-one?
The InChIKey is HTBHBWVPYXTMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2N2O3/c7-4-3-2(1-8-4)5-9-6-3/h1H2.
What are the key properties of 6H-furo[3,4-c][1,2,5]oxadiazol-4-one?
6H-furo[3,4-c][1,2,5]oxadiazol-4-one has a molecular weight of 126.07 g/mol, XLogP of -0.26, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-furo[3,4-c][1,2,5]oxadiazol-4-one is sourced from PubChem (CID 58941798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).