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

C8H5N5O2 — CID 62946289

IUPAC5-(furan-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
SMILESc1n[nH]c(-c2noc(-c3ccoc3)n2)n1
InChIInChI=1S/C8H5N5O2/c1-2-14-3-5(1)8-11-7(13-15-8)6-9-4-10-12-6/h1-4H,(H,9,10,12)
InChIKeyJLSOHVKGDCPJHF-UHFFFAOYSA-N
MW203.16 g/mol
LogP1.11
Rot. Bonds2

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

5-(furan-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole (PubChem CID 62946289) has the molecular formula C8H5N5O2 and a molecular weight of 203.16 g/mol. Its IUPAC name is 5-(furan-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(furan-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
PubChem CID62946289
Molecular FormulaC8H5N5O2
Molecular Weight203.16 g/mol
Exact Mass203.04
IUPAC Name5-(furan-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
SMILESc1n[nH]c(-c2noc(-c3ccoc3)n2)n1
InChIInChI=1S/C8H5N5O2/c1-2-14-3-5(1)8-11-7(13-15-8)6-9-4-10-12-6/h1-4H,(H,9,10,12)
InChIKeyJLSOHVKGDCPJHF-UHFFFAOYSA-N
XLogP1.11
TPSA93.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.16
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(furan-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole (CID 62946289) is 5-(furan-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(furan-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(furan-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole is c1n[nH]c(-c2noc(-c3ccoc3)n2)n1.
What is the InChIKey of 5-(furan-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is JLSOHVKGDCPJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N5O2/c1-2-14-3-5(1)8-11-7(13-15-8)6-9-4-10-12-6/h1-4H,(H,9,10,12).
What are the key properties of 5-(furan-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
5-(furan-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 203.16 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 62946289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).