3-(1-benzofuran-2-yl)-5-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]-1,2,4-oxadiazole

C17H10N6O2 — CID 71856163

IUPAC3-(1-benzofuran-2-yl)-5-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]-1,2,4-oxadiazole
SMILESc1ccc2oc(-c3noc(-c4ccnc(-n5cncn5)c4)n3)cc2c1
InChIInChI=1S/C17H10N6O2/c1-2-4-13-11(3-1)7-14(24-13)16-21-17(25-22-16)12-5-6-19-15(8-12)23-10-18-9-20-23/h1-10H
InChIKeyFKEGYFZRPHNMTL-UHFFFAOYSA-N
MW330.31 g/mol
LogP3.13
Rot. Bonds3

About 3-(1-benzofuran-2-yl)-5-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]-1,2,4-oxadiazole

3-(1-benzofuran-2-yl)-5-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]-1,2,4-oxadiazole (PubChem CID 71856163) has the molecular formula C17H10N6O2 and a molecular weight of 330.31 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-5-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-5-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]-1,2,4-oxadiazole
PubChem CID71856163
Molecular FormulaC17H10N6O2
Molecular Weight330.31 g/mol
Exact Mass330.09
IUPAC Name3-(1-benzofuran-2-yl)-5-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]-1,2,4-oxadiazole
SMILESc1ccc2oc(-c3noc(-c4ccnc(-n5cncn5)c4)n3)cc2c1
InChIInChI=1S/C17H10N6O2/c1-2-4-13-11(3-1)7-14(24-13)16-21-17(25-22-16)12-5-6-19-15(8-12)23-10-18-9-20-23/h1-10H
InChIKeyFKEGYFZRPHNMTL-UHFFFAOYSA-N
XLogP3.13
TPSA95.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-5-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(1-benzofuran-2-yl)-5-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]-1,2,4-oxadiazole (CID 71856163) is 3-(1-benzofuran-2-yl)-5-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-5-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-benzofuran-2-yl)-5-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]-1,2,4-oxadiazole is c1ccc2oc(-c3noc(-c4ccnc(-n5cncn5)c4)n3)cc2c1.
What is the InChIKey of 3-(1-benzofuran-2-yl)-5-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is FKEGYFZRPHNMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N6O2/c1-2-4-13-11(3-1)7-14(24-13)16-21-17(25-22-16)12-5-6-19-15(8-12)23-10-18-9-20-23/h1-10H.
What are the key properties of 3-(1-benzofuran-2-yl)-5-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]-1,2,4-oxadiazole?
3-(1-benzofuran-2-yl)-5-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 330.31 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-5-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 71856163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).