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

C20H22N4O — CID 8902499

IUPAC5-[(4-benzylpiperazin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole
SMILESc1ccc(CN2CCN(Cc3nc(-c4ccccc4)no3)CC2)cc1
InChIInChI=1S/C20H22N4O/c1-3-7-17(8-4-1)15-23-11-13-24(14-12-23)16-19-21-20(22-25-19)18-9-5-2-6-10-18/h1-10H,11-16H2
InChIKeyAGMZWJCXRAGFQR-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.05
Rot. Bonds5

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

5-[(4-benzylpiperazin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 8902499) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 5-[(4-benzylpiperazin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-benzylpiperazin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole
PubChem CID8902499
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name5-[(4-benzylpiperazin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole
SMILESc1ccc(CN2CCN(Cc3nc(-c4ccccc4)no3)CC2)cc1
InChIInChI=1S/C20H22N4O/c1-3-7-17(8-4-1)15-23-11-13-24(14-12-23)16-19-21-20(22-25-19)18-9-5-2-6-10-18/h1-10H,11-16H2
InChIKeyAGMZWJCXRAGFQR-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Oxolamine
CID 13738
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CID 6486002
2,2,2-trichloro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide
CID 2231342
1-{[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine
CID 327070
1-{[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-methylpiperidine
CID 2803673
2-(Benzyl{[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl}amino)ethanol
CID 16187225
(4-Fluorobenzyl)methyl{[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl}amine
CID 16189803
1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-L-prolinamide
CID 16189892
N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]tetrahydro-2H-pyran-4-amine
CID 16190446
N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methyl-2-(4-morpholinyl)ethanamine
CID 16190751
(4-Fluorobenzyl)methyl[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amine
CID 23723829
N-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-2-methoxy-N-methylethanamine
CID 23724001

Frequently Asked Questions

What is the IUPAC name of 5-[(4-benzylpiperazin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-benzylpiperazin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole (CID 8902499) is 5-[(4-benzylpiperazin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-benzylpiperazin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-benzylpiperazin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole is c1ccc(CN2CCN(Cc3nc(-c4ccccc4)no3)CC2)cc1.
What is the InChIKey of 5-[(4-benzylpiperazin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is AGMZWJCXRAGFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-3-7-17(8-4-1)15-23-11-13-24(14-12-23)16-19-21-20(22-25-19)18-9-5-2-6-10-18/h1-10H,11-16H2.
What are the key properties of 5-[(4-benzylpiperazin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole?
5-[(4-benzylpiperazin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 334.42 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-benzylpiperazin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 8902499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).