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

C18H19N5O — CID 15990123

IUPAC2-phenyl-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(CN3CCN(c4ccccn4)CC3)o2)cc1
InChIInChI=1S/C18H19N5O/c1-2-6-15(7-3-1)18-21-20-17(24-18)14-22-10-12-23(13-11-22)16-8-4-5-9-19-16/h1-9H,10-14H2
InChIKeyBUNCKBADTDNSDP-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.45
Rot. Bonds4

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

2-phenyl-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole (PubChem CID 15990123) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-phenyl-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
PubChem CID15990123
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name2-phenyl-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(CN3CCN(c4ccccn4)CC3)o2)cc1
InChIInChI=1S/C18H19N5O/c1-2-6-15(7-3-1)18-21-20-17(24-18)14-22-10-12-23(13-11-22)16-8-4-5-9-19-16/h1-9H,10-14H2
InChIKeyBUNCKBADTDNSDP-UHFFFAOYSA-N
XLogP2.45
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.45
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)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole (CID 15990123) is 2-phenyl-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole is c1ccc(-c2nnc(CN3CCN(c4ccccn4)CC3)o2)cc1.
What is the InChIKey of 2-phenyl-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is BUNCKBADTDNSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-2-6-15(7-3-1)18-21-20-17(24-18)14-22-10-12-23(13-11-22)16-8-4-5-9-19-16/h1-9H,10-14H2.
What are the key properties of 2-phenyl-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
2-phenyl-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 321.38 g/mol, XLogP of 2.45, 4 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)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 15990123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).