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

C9H7N5O2 — CID 91661141

IUPAC5-(furan-3-yl)-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole
SMILESc1cn(Cc2noc(-c3ccoc3)n2)nn1
InChIInChI=1S/C9H7N5O2/c1-4-15-6-7(1)9-11-8(12-16-9)5-14-3-2-10-13-14/h1-4,6H,5H2
InChIKeyNXRWJRILMDROBE-UHFFFAOYSA-N
MW217.19 g/mol
LogP0.97
Rot. Bonds3

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

5-(furan-3-yl)-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole (PubChem CID 91661141) has the molecular formula C9H7N5O2 and a molecular weight of 217.19 g/mol. Its IUPAC name is 5-(furan-3-yl)-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(furan-3-yl)-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole
PubChem CID91661141
Molecular FormulaC9H7N5O2
Molecular Weight217.19 g/mol
Exact Mass217.06
IUPAC Name5-(furan-3-yl)-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole
SMILESc1cn(Cc2noc(-c3ccoc3)n2)nn1
InChIInChI=1S/C9H7N5O2/c1-4-15-6-7(1)9-11-8(12-16-9)5-14-3-2-10-13-14/h1-4,6H,5H2
InChIKeyNXRWJRILMDROBE-UHFFFAOYSA-N
XLogP0.97
TPSA82.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-3-yl)-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(furan-3-yl)-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole (CID 91661141) is 5-(furan-3-yl)-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(furan-3-yl)-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(furan-3-yl)-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole is c1cn(Cc2noc(-c3ccoc3)n2)nn1.
What is the InChIKey of 5-(furan-3-yl)-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is NXRWJRILMDROBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5O2/c1-4-15-6-7(1)9-11-8(12-16-9)5-14-3-2-10-13-14/h1-4,6H,5H2.
What are the key properties of 5-(furan-3-yl)-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole?
5-(furan-3-yl)-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 217.19 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-3-yl)-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 91661141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).