3-(1,2,4-oxadiazol-3-yl)-4-(oxadiazol-4-yl)-3-(1H-pyrazol-5-yl)-2-(2H-triazol-4-yl)-1,2,5-oxadiazole

C11H7N11O3 — CID 141075080

IUPAC3-(1,2,4-oxadiazol-3-yl)-4-(oxadiazol-4-yl)-3-(1H-pyrazol-5-yl)-2-(2H-triazol-4-yl)-1,2,5-oxadiazole
SMILESc1cc(C2(c3ncon3)C(c3conn3)=NON2c2cn[nH]n2)[nH]n1
InChIInChI=1S/C11H7N11O3/c1-2-13-16-7(1)11(10-12-5-24-19-10)9(6-4-23-21-15-6)18-25-22(11)8-3-14-20-17-8/h1-5H,(H,13,16)(H,14,17,20)
InChIKeyCFJPWYBHOIHIPS-UHFFFAOYSA-N
MW341.25 g/mol
LogP-0.61
Rot. Bonds4

About 3-(1,2,4-oxadiazol-3-yl)-4-(oxadiazol-4-yl)-3-(1H-pyrazol-5-yl)-2-(2H-triazol-4-yl)-1,2,5-oxadiazole

3-(1,2,4-oxadiazol-3-yl)-4-(oxadiazol-4-yl)-3-(1H-pyrazol-5-yl)-2-(2H-triazol-4-yl)-1,2,5-oxadiazole (PubChem CID 141075080) has the molecular formula C11H7N11O3 and a molecular weight of 341.25 g/mol. Its IUPAC name is 3-(1,2,4-oxadiazol-3-yl)-4-(oxadiazol-4-yl)-3-(1H-pyrazol-5-yl)-2-(2H-triazol-4-yl)-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-(1,2,4-oxadiazol-3-yl)-4-(oxadiazol-4-yl)-3-(1H-pyrazol-5-yl)-2-(2H-triazol-4-yl)-1,2,5-oxadiazole
PubChem CID141075080
Molecular FormulaC11H7N11O3
Molecular Weight341.25 g/mol
Exact Mass341.07
IUPAC Name3-(1,2,4-oxadiazol-3-yl)-4-(oxadiazol-4-yl)-3-(1H-pyrazol-5-yl)-2-(2H-triazol-4-yl)-1,2,5-oxadiazole
SMILESc1cc(C2(c3ncon3)C(c3conn3)=NON2c2cn[nH]n2)[nH]n1
InChIInChI=1S/C11H7N11O3/c1-2-13-16-7(1)11(10-12-5-24-19-10)9(6-4-23-21-15-6)18-25-22(11)8-3-14-20-17-8/h1-5H,(H,13,16)(H,14,17,20)
InChIKeyCFJPWYBHOIHIPS-UHFFFAOYSA-N
XLogP-0.61
TPSA172.92 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.25
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 3-(1,2,4-oxadiazol-3-yl)-4-(oxadiazol-4-yl)-3-(1H-pyrazol-5-yl)-2-(2H-triazol-4-yl)-1,2,5-oxadiazole with MolForge

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Related Compounds

3-(1,2,4-oxadiazol-3-yl)-4-(oxadiazol-4-yl)-4-(1H-pyrrol-2-yl)-2-(1H-1,2,4-triazol-5-yl)-3-(2H-triazol-4-yl)-1,2,5-oxadiazolidine
CID 141040622

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,4-oxadiazol-3-yl)-4-(oxadiazol-4-yl)-3-(1H-pyrazol-5-yl)-2-(2H-triazol-4-yl)-1,2,5-oxadiazole?
The IUPAC name of 3-(1,2,4-oxadiazol-3-yl)-4-(oxadiazol-4-yl)-3-(1H-pyrazol-5-yl)-2-(2H-triazol-4-yl)-1,2,5-oxadiazole (CID 141075080) is 3-(1,2,4-oxadiazol-3-yl)-4-(oxadiazol-4-yl)-3-(1H-pyrazol-5-yl)-2-(2H-triazol-4-yl)-1,2,5-oxadiazole.
What is the SMILES notation for 3-(1,2,4-oxadiazol-3-yl)-4-(oxadiazol-4-yl)-3-(1H-pyrazol-5-yl)-2-(2H-triazol-4-yl)-1,2,5-oxadiazole?
The canonical SMILES for 3-(1,2,4-oxadiazol-3-yl)-4-(oxadiazol-4-yl)-3-(1H-pyrazol-5-yl)-2-(2H-triazol-4-yl)-1,2,5-oxadiazole is c1cc(C2(c3ncon3)C(c3conn3)=NON2c2cn[nH]n2)[nH]n1.
What is the InChIKey of 3-(1,2,4-oxadiazol-3-yl)-4-(oxadiazol-4-yl)-3-(1H-pyrazol-5-yl)-2-(2H-triazol-4-yl)-1,2,5-oxadiazole?
The InChIKey is CFJPWYBHOIHIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N11O3/c1-2-13-16-7(1)11(10-12-5-24-19-10)9(6-4-23-21-15-6)18-25-22(11)8-3-14-20-17-8/h1-5H,(H,13,16)(H,14,17,20).
What are the key properties of 3-(1,2,4-oxadiazol-3-yl)-4-(oxadiazol-4-yl)-3-(1H-pyrazol-5-yl)-2-(2H-triazol-4-yl)-1,2,5-oxadiazole?
3-(1,2,4-oxadiazol-3-yl)-4-(oxadiazol-4-yl)-3-(1H-pyrazol-5-yl)-2-(2H-triazol-4-yl)-1,2,5-oxadiazole has a molecular weight of 341.25 g/mol, XLogP of -0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,4-oxadiazol-3-yl)-4-(oxadiazol-4-yl)-3-(1H-pyrazol-5-yl)-2-(2H-triazol-4-yl)-1,2,5-oxadiazole is sourced from PubChem (CID 141075080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).