2-[(4-benzylpiperazin-1-yl)-(4-fluorophenyl)methyl]-5-phenyl-1,3,4-oxadiazole

C26H25FN4O — CID 20944378

IUPAC2-[(4-benzylpiperazin-1-yl)-(4-fluorophenyl)methyl]-5-phenyl-1,3,4-oxadiazole
SMILESFc1ccc(C(c2nnc(-c3ccccc3)o2)N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C26H25FN4O/c27-23-13-11-21(12-14-23)24(26-29-28-25(32-26)22-9-5-2-6-10-22)31-17-15-30(16-18-31)19-20-7-3-1-4-8-20/h1-14,24H,15-19H2
InChIKeyNZALYTSLTXWZRB-UHFFFAOYSA-N
MW428.51 g/mol
LogP4.78
Rot. Bonds6

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

2-[(4-benzylpiperazin-1-yl)-(4-fluorophenyl)methyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 20944378) has the molecular formula C26H25FN4O and a molecular weight of 428.51 g/mol. Its IUPAC name is 2-[(4-benzylpiperazin-1-yl)-(4-fluorophenyl)methyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4-benzylpiperazin-1-yl)-(4-fluorophenyl)methyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID20944378
Molecular FormulaC26H25FN4O
Molecular Weight428.51 g/mol
Exact Mass428.20
IUPAC Name2-[(4-benzylpiperazin-1-yl)-(4-fluorophenyl)methyl]-5-phenyl-1,3,4-oxadiazole
SMILESFc1ccc(C(c2nnc(-c3ccccc3)o2)N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C26H25FN4O/c27-23-13-11-21(12-14-23)24(26-29-28-25(32-26)22-9-5-2-6-10-22)31-17-15-30(16-18-31)19-20-7-3-1-4-8-20/h1-14,24H,15-19H2
InChIKeyNZALYTSLTXWZRB-UHFFFAOYSA-N
XLogP4.78
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzylpiperazin-1-yl)-(4-fluorophenyl)methyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(4-benzylpiperazin-1-yl)-(4-fluorophenyl)methyl]-5-phenyl-1,3,4-oxadiazole (CID 20944378) is 2-[(4-benzylpiperazin-1-yl)-(4-fluorophenyl)methyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4-benzylpiperazin-1-yl)-(4-fluorophenyl)methyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4-benzylpiperazin-1-yl)-(4-fluorophenyl)methyl]-5-phenyl-1,3,4-oxadiazole is Fc1ccc(C(c2nnc(-c3ccccc3)o2)N2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 2-[(4-benzylpiperazin-1-yl)-(4-fluorophenyl)methyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is NZALYTSLTXWZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O/c27-23-13-11-21(12-14-23)24(26-29-28-25(32-26)22-9-5-2-6-10-22)31-17-15-30(16-18-31)19-20-7-3-1-4-8-20/h1-14,24H,15-19H2.
What are the key properties of 2-[(4-benzylpiperazin-1-yl)-(4-fluorophenyl)methyl]-5-phenyl-1,3,4-oxadiazole?
2-[(4-benzylpiperazin-1-yl)-(4-fluorophenyl)methyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 428.51 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-benzylpiperazin-1-yl)-(4-fluorophenyl)methyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 20944378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).