2-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole

C17H17N5O — CID 162649027

IUPAC2-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(N3CCN(c4ccccn4)CC3)o2)cc1
InChIInChI=1S/C17H17N5O/c1-2-6-14(7-3-1)16-19-20-17(23-16)22-12-10-21(11-13-22)15-8-4-5-9-18-15/h1-9H,10-13H2
InChIKeyNBMHQAWRLMBPET-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.46
Rot. Bonds3

About 2-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole

2-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole (PubChem CID 162649027) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 2-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole
PubChem CID162649027
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name2-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(N3CCN(c4ccccn4)CC3)o2)cc1
InChIInChI=1S/C17H17N5O/c1-2-6-14(7-3-1)16-19-20-17(23-16)22-12-10-21(11-13-22)15-8-4-5-9-18-15/h1-9H,10-13H2
InChIKeyNBMHQAWRLMBPET-UHFFFAOYSA-N
XLogP2.46
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole (CID 162649027) is 2-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole is c1ccc(-c2nnc(N3CCN(c4ccccn4)CC3)o2)cc1.
What is the InChIKey of 2-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole?
The InChIKey is NBMHQAWRLMBPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-2-6-14(7-3-1)16-19-20-17(23-16)22-12-10-21(11-13-22)15-8-4-5-9-18-15/h1-9H,10-13H2.
What are the key properties of 2-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole?
2-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole has a molecular weight of 307.36 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 162649027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).