3-phenyl-5-piperidin-4-yl-1,2,4-oxadiazole

C13H15N3O — CID 812370

IUPAC3-phenyl-5-piperidin-4-yl-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(C3CCNCC3)n2)cc1
InChIInChI=1S/C13H15N3O/c1-2-4-10(5-3-1)12-15-13(17-16-12)11-6-8-14-9-7-11/h1-5,11,14H,6-9H2
InChIKeyFRSNRGPKFYZBJA-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.20
Rot. Bonds2

About 3-phenyl-5-piperidin-4-yl-1,2,4-oxadiazole

3-phenyl-5-piperidin-4-yl-1,2,4-oxadiazole (PubChem CID 812370) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-phenyl-5-piperidin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-phenyl-5-piperidin-4-yl-1,2,4-oxadiazole
PubChem CID812370
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name3-phenyl-5-piperidin-4-yl-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(C3CCNCC3)n2)cc1
InChIInChI=1S/C13H15N3O/c1-2-4-10(5-3-1)12-15-13(17-16-12)11-6-8-14-9-7-11/h1-5,11,14H,6-9H2
InChIKeyFRSNRGPKFYZBJA-UHFFFAOYSA-N
XLogP2.20
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-piperidin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 3-phenyl-5-piperidin-4-yl-1,2,4-oxadiazole (CID 812370) is 3-phenyl-5-piperidin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-phenyl-5-piperidin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-phenyl-5-piperidin-4-yl-1,2,4-oxadiazole is c1ccc(-c2noc(C3CCNCC3)n2)cc1.
What is the InChIKey of 3-phenyl-5-piperidin-4-yl-1,2,4-oxadiazole?
The InChIKey is FRSNRGPKFYZBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-2-4-10(5-3-1)12-15-13(17-16-12)11-6-8-14-9-7-11/h1-5,11,14H,6-9H2.
What are the key properties of 3-phenyl-5-piperidin-4-yl-1,2,4-oxadiazole?
3-phenyl-5-piperidin-4-yl-1,2,4-oxadiazole has a molecular weight of 229.28 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-piperidin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 812370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).