(3S)-3-phenyl-5-(3-piperidin-1-ylpropyl)-2,3-dihydro-1,2,4-oxadiazole

C16H23N3O — CID 129373306

IUPAC(3S)-3-phenyl-5-(3-piperidin-1-ylpropyl)-2,3-dihydro-1,2,4-oxadiazole
SMILESc1ccc([C@H]2N=C(CCCN3CCCCC3)ON2)cc1
InChIInChI=1S/C16H23N3O/c1-3-8-14(9-4-1)16-17-15(20-18-16)10-7-13-19-11-5-2-6-12-19/h1,3-4,8-9,16,18H,2,5-7,10-13H2/t16-/m0/s1
InChIKeyFYHDEWITTKYCPS-INIZCTEOSA-N
MW273.38 g/mol
LogP2.88
Rot. Bonds5

About (3S)-3-phenyl-5-(3-piperidin-1-ylpropyl)-2,3-dihydro-1,2,4-oxadiazole

(3S)-3-phenyl-5-(3-piperidin-1-ylpropyl)-2,3-dihydro-1,2,4-oxadiazole (PubChem CID 129373306) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is (3S)-3-phenyl-5-(3-piperidin-1-ylpropyl)-2,3-dihydro-1,2,4-oxadiazole.

Molecular Properties

Compound Name(3S)-3-phenyl-5-(3-piperidin-1-ylpropyl)-2,3-dihydro-1,2,4-oxadiazole
PubChem CID129373306
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name(3S)-3-phenyl-5-(3-piperidin-1-ylpropyl)-2,3-dihydro-1,2,4-oxadiazole
SMILESc1ccc([C@H]2N=C(CCCN3CCCCC3)ON2)cc1
InChIInChI=1S/C16H23N3O/c1-3-8-14(9-4-1)16-17-15(20-18-16)10-7-13-19-11-5-2-6-12-19/h1,3-4,8-9,16,18H,2,5-7,10-13H2/t16-/m0/s1
InChIKeyFYHDEWITTKYCPS-INIZCTEOSA-N
XLogP2.88
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-phenyl-5-(3-piperidin-1-ylpropyl)-2,3-dihydro-1,2,4-oxadiazole?
The IUPAC name of (3S)-3-phenyl-5-(3-piperidin-1-ylpropyl)-2,3-dihydro-1,2,4-oxadiazole (CID 129373306) is (3S)-3-phenyl-5-(3-piperidin-1-ylpropyl)-2,3-dihydro-1,2,4-oxadiazole.
What is the SMILES notation for (3S)-3-phenyl-5-(3-piperidin-1-ylpropyl)-2,3-dihydro-1,2,4-oxadiazole?
The canonical SMILES for (3S)-3-phenyl-5-(3-piperidin-1-ylpropyl)-2,3-dihydro-1,2,4-oxadiazole is c1ccc([C@H]2N=C(CCCN3CCCCC3)ON2)cc1.
What is the InChIKey of (3S)-3-phenyl-5-(3-piperidin-1-ylpropyl)-2,3-dihydro-1,2,4-oxadiazole?
The InChIKey is FYHDEWITTKYCPS-INIZCTEOSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-8-14(9-4-1)16-17-15(20-18-16)10-7-13-19-11-5-2-6-12-19/h1,3-4,8-9,16,18H,2,5-7,10-13H2/t16-/m0/s1.
What are the key properties of (3S)-3-phenyl-5-(3-piperidin-1-ylpropyl)-2,3-dihydro-1,2,4-oxadiazole?
(3S)-3-phenyl-5-(3-piperidin-1-ylpropyl)-2,3-dihydro-1,2,4-oxadiazole has a molecular weight of 273.38 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-phenyl-5-(3-piperidin-1-ylpropyl)-2,3-dihydro-1,2,4-oxadiazole is sourced from PubChem (CID 129373306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).