3-phenyl-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole

C13H16N4O — CID 28819135

IUPAC3-phenyl-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(CN3CCNCC3)n2)cc1
InChIInChI=1S/C13H16N4O/c1-2-4-11(5-3-1)13-15-12(18-16-13)10-17-8-6-14-7-9-17/h1-5,14H,6-10H2
InChIKeyBZMOIVZLALQBNE-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.14
Rot. Bonds3

About 3-phenyl-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole

3-phenyl-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole (PubChem CID 28819135) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-phenyl-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-phenyl-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
PubChem CID28819135
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name3-phenyl-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(CN3CCNCC3)n2)cc1
InChIInChI=1S/C13H16N4O/c1-2-4-11(5-3-1)13-15-12(18-16-13)10-17-8-6-14-7-9-17/h1-5,14H,6-10H2
InChIKeyBZMOIVZLALQBNE-UHFFFAOYSA-N
XLogP1.14
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-phenyl-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole (CID 28819135) is 3-phenyl-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-phenyl-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-phenyl-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole is c1ccc(-c2noc(CN3CCNCC3)n2)cc1.
What is the InChIKey of 3-phenyl-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is BZMOIVZLALQBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-2-4-11(5-3-1)13-15-12(18-16-13)10-17-8-6-14-7-9-17/h1-5,14H,6-10H2.
What are the key properties of 3-phenyl-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
3-phenyl-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 244.30 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 28819135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).