2-(2-phenylethyl)-5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazole

C20H22N4O — CID 59454427

IUPAC2-(2-phenylethyl)-5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazole
SMILESc1ccc(CCc2nnc(-c3ccc(N4CCNCC4)cc3)o2)cc1
InChIInChI=1S/C20H22N4O/c1-2-4-16(5-3-1)6-11-19-22-23-20(25-19)17-7-9-18(10-8-17)24-14-12-21-13-15-24/h1-5,7-10,21H,6,11-15H2
InChIKeyAVFBNDGMWBKUGR-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.93
Rot. Bonds5

About 2-(2-phenylethyl)-5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazole

2-(2-phenylethyl)-5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazole (PubChem CID 59454427) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-(2-phenylethyl)-5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-phenylethyl)-5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazole
PubChem CID59454427
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name2-(2-phenylethyl)-5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazole
SMILESc1ccc(CCc2nnc(-c3ccc(N4CCNCC4)cc3)o2)cc1
InChIInChI=1S/C20H22N4O/c1-2-4-16(5-3-1)6-11-19-22-23-20(25-19)17-7-9-18(10-8-17)24-14-12-21-13-15-24/h1-5,7-10,21H,6,11-15H2
InChIKeyAVFBNDGMWBKUGR-UHFFFAOYSA-N
XLogP2.93
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
CID 110653684
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 51217103
1-(4-benzylphenyl)piperazine
CID 4738749
2-(2-methyl-4-piperazin-1-ylphenyl)-5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazole
CID 170665199
2-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 8688023
2-(4-methylphenyl)-5-piperazin-1-yl-1,3,4-oxadiazole
CID 28808850
4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]morpholine
CID 110653646
N,N-dimethyl-1-[4-[5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine
CID 59643580
2-[(4-benzylpiperazin-1-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 7463593
2-piperazin-1-yl-5-pyridin-4-yl-1,3,4-oxadiazole
CID 28808843
1-(4-benzylpiperidin-1-yl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-one
CID 110334025
3-phenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine
CID 110653706

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)-5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-phenylethyl)-5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazole (CID 59454427) is 2-(2-phenylethyl)-5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-phenylethyl)-5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-phenylethyl)-5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazole is c1ccc(CCc2nnc(-c3ccc(N4CCNCC4)cc3)o2)cc1.
What is the InChIKey of 2-(2-phenylethyl)-5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazole?
The InChIKey is AVFBNDGMWBKUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-2-4-16(5-3-1)6-11-19-22-23-20(25-19)17-7-9-18(10-8-17)24-14-12-21-13-15-24/h1-5,7-10,21H,6,11-15H2.
What are the key properties of 2-(2-phenylethyl)-5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazole?
2-(2-phenylethyl)-5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazole has a molecular weight of 334.42 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)-5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 59454427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).