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

C25H23FN4O — CID 46249026

IUPAC2-[(2-fluorophenyl)-(4-phenylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole
SMILESFc1ccccc1C(c1nnc(-c2ccccc2)o1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H23FN4O/c26-22-14-8-7-13-21(22)23(25-28-27-24(31-25)19-9-3-1-4-10-19)30-17-15-29(16-18-30)20-11-5-2-6-12-20/h1-14,23H,15-18H2
InChIKeyGASOXMXQLYADEF-UHFFFAOYSA-N
MW414.48 g/mol
LogP4.79
Rot. Bonds5

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

2-[(2-fluorophenyl)-(4-phenylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 46249026) has the molecular formula C25H23FN4O and a molecular weight of 414.48 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)-(4-phenylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2-fluorophenyl)-(4-phenylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID46249026
Molecular FormulaC25H23FN4O
Molecular Weight414.48 g/mol
Exact Mass414.19
IUPAC Name2-[(2-fluorophenyl)-(4-phenylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole
SMILESFc1ccccc1C(c1nnc(-c2ccccc2)o1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H23FN4O/c26-22-14-8-7-13-21(22)23(25-28-27-24(31-25)19-9-3-1-4-10-19)30-17-15-29(16-18-30)20-11-5-2-6-12-20/h1-14,23H,15-18H2
InChIKeyGASOXMXQLYADEF-UHFFFAOYSA-N
XLogP4.79
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(R)-[4-(3-chlorophenyl)piperazin-1-yl]-(2-fluorophenyl)methyl]-5-phenyl-1,3,4-oxadiazole
CID 92707823
2-[(S)-[4-(3-chlorophenyl)piperazin-1-yl]-(2-fluorophenyl)methyl]-5-phenyl-1,3,4-oxadiazole
CID 92707824
2-[(2-fluorophenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 46339167
2-[(S)-(2-fluorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole
CID 92893066
2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-fluorophenyl)methyl]-5-phenyl-1,3,4-oxadiazole
CID 20944444
2-[(S)-(4-bromophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 92719971
2-(4-chlorophenyl)-5-[(R)-[4-(2-fluorophenyl)piperazin-1-yl]-phenylmethyl]-1,3,4-oxadiazole
CID 92724535
2-[(1S)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 40939270
1-[(2-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine
CID 3210126
2-(3-methylphenyl)-5-[1-(4-phenylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
CID 17396975
2-(3-chlorophenyl)-5-[(1S)-1-(4-phenylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
CID 31308998
2-(3-chlorophenyl)-5-[(1R)-1-(4-phenylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
CID 31308994

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)-(4-phenylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(2-fluorophenyl)-(4-phenylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole (CID 46249026) is 2-[(2-fluorophenyl)-(4-phenylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2-fluorophenyl)-(4-phenylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2-fluorophenyl)-(4-phenylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole is Fc1ccccc1C(c1nnc(-c2ccccc2)o1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-[(2-fluorophenyl)-(4-phenylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is GASOXMXQLYADEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O/c26-22-14-8-7-13-21(22)23(25-28-27-24(31-25)19-9-3-1-4-10-19)30-17-15-29(16-18-30)20-11-5-2-6-12-20/h1-14,23H,15-18H2.
What are the key properties of 2-[(2-fluorophenyl)-(4-phenylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole?
2-[(2-fluorophenyl)-(4-phenylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 414.48 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)-(4-phenylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 46249026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).