3-phenyl-5-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole

C18H18N4O — CID 53037161

IUPAC3-phenyl-5-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(-c3ccc(N4CCCCC4)nc3)n2)cc1
InChIInChI=1S/C18H18N4O/c1-3-7-14(8-4-1)17-20-18(23-21-17)15-9-10-16(19-13-15)22-11-5-2-6-12-22/h1,3-4,7-10,13H,2,5-6,11-12H2
InChIKeyRESQIRWTPBFMPQ-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.79
Rot. Bonds3

About 3-phenyl-5-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole

3-phenyl-5-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole (PubChem CID 53037161) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-phenyl-5-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-phenyl-5-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole
PubChem CID53037161
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name3-phenyl-5-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(-c3ccc(N4CCCCC4)nc3)n2)cc1
InChIInChI=1S/C18H18N4O/c1-3-7-14(8-4-1)17-20-18(23-21-17)15-9-10-16(19-13-15)22-11-5-2-6-12-22/h1,3-4,7-10,13H,2,5-6,11-12H2
InChIKeyRESQIRWTPBFMPQ-UHFFFAOYSA-N
XLogP3.79
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 3-phenyl-5-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole (CID 53037161) is 3-phenyl-5-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-phenyl-5-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-phenyl-5-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole is c1ccc(-c2noc(-c3ccc(N4CCCCC4)nc3)n2)cc1.
What is the InChIKey of 3-phenyl-5-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is RESQIRWTPBFMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-3-7-14(8-4-1)17-20-18(23-21-17)15-9-10-16(19-13-15)22-11-5-2-6-12-22/h1,3-4,7-10,13H,2,5-6,11-12H2.
What are the key properties of 3-phenyl-5-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole?
3-phenyl-5-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 306.37 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 53037161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).