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

C20H22N4O — CID 110653301

IUPAC2-benzyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
SMILESc1ccc(Cc2nnc(CN3CCN(c4ccccc4)CC3)o2)cc1
InChIInChI=1S/C20H22N4O/c1-3-7-17(8-4-1)15-19-21-22-20(25-19)16-23-11-13-24(14-12-23)18-9-5-2-6-10-18/h1-10H,11-16H2
InChIKeyNETSTDRLQJATEI-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.98
Rot. Bonds5

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

2-benzyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole (PubChem CID 110653301) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-benzyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-benzyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
PubChem CID110653301
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name2-benzyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
SMILESc1ccc(Cc2nnc(CN3CCN(c4ccccc4)CC3)o2)cc1
InChIInChI=1S/C20H22N4O/c1-3-7-17(8-4-1)15-19-21-22-20(25-19)16-23-11-13-24(14-12-23)18-9-5-2-6-10-18/h1-10H,11-16H2
InChIKeyNETSTDRLQJATEI-UHFFFAOYSA-N
XLogP2.98
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzyl-5-[[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methyl]-1,3,4-oxadiazole
CID 86879117
2-cyclopropyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 47520325
2-benzyl-5-[[4-[(4-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 86895358
2-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 8688023
2-(3-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 22432336
5-methyl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole
CID 22762631
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 1008010
4-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]phenol
CID 37046511
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfonyl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 4588662
2-benzyl-5-[[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 86895225
2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 4824709
2-benzyl-5-[(3-ethylsulfanylazepan-1-yl)methyl]-1,3,4-oxadiazole
CID 56788100

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-benzyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole (CID 110653301) is 2-benzyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-benzyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-benzyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole is c1ccc(Cc2nnc(CN3CCN(c4ccccc4)CC3)o2)cc1.
What is the InChIKey of 2-benzyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is NETSTDRLQJATEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-3-7-17(8-4-1)15-19-21-22-20(25-19)16-23-11-13-24(14-12-23)18-9-5-2-6-10-18/h1-10H,11-16H2.
What are the key properties of 2-benzyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
2-benzyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 334.42 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 110653301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).