2-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-5-phenyl-1,3,4-oxadiazole

C17H20N6O — CID 53318035

IUPAC2-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-5-phenyl-1,3,4-oxadiazole
SMILESCCN1CCC(n2cc(-c3nnc(-c4ccccc4)o3)nn2)CC1
InChIInChI=1S/C17H20N6O/c1-2-22-10-8-14(9-11-22)23-12-15(18-21-23)17-20-19-16(24-17)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3
InChIKeyIQQVYJYPPKEZHV-UHFFFAOYSA-N
MW324.39 g/mol
LogP2.65
Rot. Bonds4

About 2-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-5-phenyl-1,3,4-oxadiazole

2-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 53318035) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 2-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-5-phenyl-1,3,4-oxadiazole
PubChem CID53318035
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name2-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-5-phenyl-1,3,4-oxadiazole
SMILESCCN1CCC(n2cc(-c3nnc(-c4ccccc4)o3)nn2)CC1
InChIInChI=1S/C17H20N6O/c1-2-22-10-8-14(9-11-22)23-12-15(18-21-23)17-20-19-16(24-17)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3
InChIKeyIQQVYJYPPKEZHV-UHFFFAOYSA-N
XLogP2.65
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-5-phenyl-1,3,4-oxadiazole (CID 53318035) is 2-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-5-phenyl-1,3,4-oxadiazole is CCN1CCC(n2cc(-c3nnc(-c4ccccc4)o3)nn2)CC1.
What is the InChIKey of 2-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is IQQVYJYPPKEZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-2-22-10-8-14(9-11-22)23-12-15(18-21-23)17-20-19-16(24-17)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3.
What are the key properties of 2-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-5-phenyl-1,3,4-oxadiazole?
2-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 324.39 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 53318035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).