5-ethyl-3-[2-[4-[5-(1H-pyrazol-5-yl)furan-2-yl]triazol-1-yl]ethyl]-1,2,4-oxadiazole

C15H15N7O2 — CID 72920781

IUPAC5-ethyl-3-[2-[4-[5-(1H-pyrazol-5-yl)furan-2-yl]triazol-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCCc1nc(CCn2cc(-c3ccc(-c4ccn[nH]4)o3)nn2)no1
InChIInChI=1S/C15H15N7O2/c1-2-15-17-14(20-24-15)6-8-22-9-11(19-21-22)13-4-3-12(23-13)10-5-7-16-18-10/h3-5,7,9H,2,6,8H2,1H3,(H,16,18)
InChIKeyQYAYMZQZCHHFJG-UHFFFAOYSA-N
MW325.33 g/mol
LogP2.12
Rot. Bonds6

About 5-ethyl-3-[2-[4-[5-(1H-pyrazol-5-yl)furan-2-yl]triazol-1-yl]ethyl]-1,2,4-oxadiazole

5-ethyl-3-[2-[4-[5-(1H-pyrazol-5-yl)furan-2-yl]triazol-1-yl]ethyl]-1,2,4-oxadiazole (PubChem CID 72920781) has the molecular formula C15H15N7O2 and a molecular weight of 325.33 g/mol. Its IUPAC name is 5-ethyl-3-[2-[4-[5-(1H-pyrazol-5-yl)furan-2-yl]triazol-1-yl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-ethyl-3-[2-[4-[5-(1H-pyrazol-5-yl)furan-2-yl]triazol-1-yl]ethyl]-1,2,4-oxadiazole
PubChem CID72920781
Molecular FormulaC15H15N7O2
Molecular Weight325.33 g/mol
Exact Mass325.13
IUPAC Name5-ethyl-3-[2-[4-[5-(1H-pyrazol-5-yl)furan-2-yl]triazol-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCCc1nc(CCn2cc(-c3ccc(-c4ccn[nH]4)o3)nn2)no1
InChIInChI=1S/C15H15N7O2/c1-2-15-17-14(20-24-15)6-8-22-9-11(19-21-22)13-4-3-12(23-13)10-5-7-16-18-10/h3-5,7,9H,2,6,8H2,1H3,(H,16,18)
InChIKeyQYAYMZQZCHHFJG-UHFFFAOYSA-N
XLogP2.12
TPSA111.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[2-[4-[5-(1H-pyrazol-5-yl)furan-2-yl]triazol-1-yl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 5-ethyl-3-[2-[4-[5-(1H-pyrazol-5-yl)furan-2-yl]triazol-1-yl]ethyl]-1,2,4-oxadiazole (CID 72920781) is 5-ethyl-3-[2-[4-[5-(1H-pyrazol-5-yl)furan-2-yl]triazol-1-yl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-ethyl-3-[2-[4-[5-(1H-pyrazol-5-yl)furan-2-yl]triazol-1-yl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-ethyl-3-[2-[4-[5-(1H-pyrazol-5-yl)furan-2-yl]triazol-1-yl]ethyl]-1,2,4-oxadiazole is CCc1nc(CCn2cc(-c3ccc(-c4ccn[nH]4)o3)nn2)no1.
What is the InChIKey of 5-ethyl-3-[2-[4-[5-(1H-pyrazol-5-yl)furan-2-yl]triazol-1-yl]ethyl]-1,2,4-oxadiazole?
The InChIKey is QYAYMZQZCHHFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O2/c1-2-15-17-14(20-24-15)6-8-22-9-11(19-21-22)13-4-3-12(23-13)10-5-7-16-18-10/h3-5,7,9H,2,6,8H2,1H3,(H,16,18).
What are the key properties of 5-ethyl-3-[2-[4-[5-(1H-pyrazol-5-yl)furan-2-yl]triazol-1-yl]ethyl]-1,2,4-oxadiazole?
5-ethyl-3-[2-[4-[5-(1H-pyrazol-5-yl)furan-2-yl]triazol-1-yl]ethyl]-1,2,4-oxadiazole has a molecular weight of 325.33 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[2-[4-[5-(1H-pyrazol-5-yl)furan-2-yl]triazol-1-yl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 72920781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).