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

C9H7N5O2S — CID 37314754

IUPAC3-(furan-2-yl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,2,4-oxadiazole
SMILESc1coc(-c2noc(CSc3ncn[nH]3)n2)c1
InChIInChI=1S/C9H7N5O2S/c1-2-6(15-3-1)8-12-7(16-14-8)4-17-9-10-5-11-13-9/h1-3,5H,4H2,(H,10,11,13)
InChIKeyZFMNOFBTFIQKBC-UHFFFAOYSA-N
MW249.25 g/mol
LogP1.74
Rot. Bonds4

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

3-(furan-2-yl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,2,4-oxadiazole (PubChem CID 37314754) has the molecular formula C9H7N5O2S and a molecular weight of 249.25 g/mol. Its IUPAC name is 3-(furan-2-yl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(furan-2-yl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,2,4-oxadiazole
PubChem CID37314754
Molecular FormulaC9H7N5O2S
Molecular Weight249.25 g/mol
Exact Mass249.03
IUPAC Name3-(furan-2-yl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,2,4-oxadiazole
SMILESc1coc(-c2noc(CSc3ncn[nH]3)n2)c1
InChIInChI=1S/C9H7N5O2S/c1-2-6(15-3-1)8-12-7(16-14-8)4-17-9-10-5-11-13-9/h1-3,5H,4H2,(H,10,11,13)
InChIKeyZFMNOFBTFIQKBC-UHFFFAOYSA-N
XLogP1.74
TPSA93.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(furan-2-yl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,2,4-oxadiazole (CID 37314754) is 3-(furan-2-yl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(furan-2-yl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(furan-2-yl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,2,4-oxadiazole is c1coc(-c2noc(CSc3ncn[nH]3)n2)c1.
What is the InChIKey of 3-(furan-2-yl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,2,4-oxadiazole?
The InChIKey is ZFMNOFBTFIQKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5O2S/c1-2-6(15-3-1)8-12-7(16-14-8)4-17-9-10-5-11-13-9/h1-3,5H,4H2,(H,10,11,13).
What are the key properties of 3-(furan-2-yl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,2,4-oxadiazole?
3-(furan-2-yl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,2,4-oxadiazole has a molecular weight of 249.25 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 37314754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).