3-piperidin-4-yl-5-[(E)-2-pyridin-4-ylethenyl]-1,2,4-oxadiazole

C14H16N4O — CID 141150130

IUPAC3-piperidin-4-yl-5-[(E)-2-pyridin-4-ylethenyl]-1,2,4-oxadiazole
SMILESC(=C/c1nc(C2CCNCC2)no1)\c1ccncc1
InChIInChI=1S/C14H16N4O/c1(11-3-7-15-8-4-11)2-13-17-14(18-19-13)12-5-9-16-10-6-12/h1-4,7-8,12,16H,5-6,9-10H2/b2-1+
InChIKeyCXVKVYZYCJDJEP-OWOJBTEDSA-N
MW256.31 g/mol
LogP2.10
Rot. Bonds3

About 3-piperidin-4-yl-5-[(E)-2-pyridin-4-ylethenyl]-1,2,4-oxadiazole

3-piperidin-4-yl-5-[(E)-2-pyridin-4-ylethenyl]-1,2,4-oxadiazole (PubChem CID 141150130) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-piperidin-4-yl-5-[(E)-2-pyridin-4-ylethenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-piperidin-4-yl-5-[(E)-2-pyridin-4-ylethenyl]-1,2,4-oxadiazole
PubChem CID141150130
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name3-piperidin-4-yl-5-[(E)-2-pyridin-4-ylethenyl]-1,2,4-oxadiazole
SMILESC(=C/c1nc(C2CCNCC2)no1)\c1ccncc1
InChIInChI=1S/C14H16N4O/c1(11-3-7-15-8-4-11)2-13-17-14(18-19-13)12-5-9-16-10-6-12/h1-4,7-8,12,16H,5-6,9-10H2/b2-1+
InChIKeyCXVKVYZYCJDJEP-OWOJBTEDSA-N
XLogP2.10
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-5-[(E)-2-pyridin-4-ylethenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-piperidin-4-yl-5-[(E)-2-pyridin-4-ylethenyl]-1,2,4-oxadiazole (CID 141150130) is 3-piperidin-4-yl-5-[(E)-2-pyridin-4-ylethenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-piperidin-4-yl-5-[(E)-2-pyridin-4-ylethenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-piperidin-4-yl-5-[(E)-2-pyridin-4-ylethenyl]-1,2,4-oxadiazole is C(=C/c1nc(C2CCNCC2)no1)\c1ccncc1.
What is the InChIKey of 3-piperidin-4-yl-5-[(E)-2-pyridin-4-ylethenyl]-1,2,4-oxadiazole?
The InChIKey is CXVKVYZYCJDJEP-OWOJBTEDSA-N. The full InChI is InChI=1S/C14H16N4O/c1(11-3-7-15-8-4-11)2-13-17-14(18-19-13)12-5-9-16-10-6-12/h1-4,7-8,12,16H,5-6,9-10H2/b2-1+.
What are the key properties of 3-piperidin-4-yl-5-[(E)-2-pyridin-4-ylethenyl]-1,2,4-oxadiazole?
3-piperidin-4-yl-5-[(E)-2-pyridin-4-ylethenyl]-1,2,4-oxadiazole has a molecular weight of 256.31 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-5-[(E)-2-pyridin-4-ylethenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 141150130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).