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

C21H23N3O — CID 750953

IUPAC5-[(4-benzylpiperidin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole
SMILESc1ccc(CC2CCN(Cc3nc(-c4ccccc4)no3)CC2)cc1
InChIInChI=1S/C21H23N3O/c1-3-7-17(8-4-1)15-18-11-13-24(14-12-18)16-20-22-21(23-25-20)19-9-5-2-6-10-19/h1-10,18H,11-16H2
InChIKeyXCHZJXXJXZTARJ-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.19
Rot. Bonds5

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

5-[(4-benzylpiperidin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 750953) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 5-[(4-benzylpiperidin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-benzylpiperidin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole
PubChem CID750953
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name5-[(4-benzylpiperidin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole
SMILESc1ccc(CC2CCN(Cc3nc(-c4ccccc4)no3)CC2)cc1
InChIInChI=1S/C21H23N3O/c1-3-7-17(8-4-1)15-18-11-13-24(14-12-18)16-20-22-21(23-25-20)19-9-5-2-6-10-19/h1-10,18H,11-16H2
InChIKeyXCHZJXXJXZTARJ-UHFFFAOYSA-N
XLogP4.19
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Prenoxdiazine
CID 120508
4-[[1-[[3-[4-(Trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methyl]morpholine
CID 6486002
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
N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]tetrahydro-2H-pyran-4-amine
CID 16190446
(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
Cyclobutyl-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 4240363
Libexin
CID 120507
1-(3-Phenyl-1,2,4-oxadiazol-5-yl)methanamine
CID 4894507

Frequently Asked Questions

What is the IUPAC name of 5-[(4-benzylpiperidin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-benzylpiperidin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole (CID 750953) is 5-[(4-benzylpiperidin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-benzylpiperidin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-benzylpiperidin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole is c1ccc(CC2CCN(Cc3nc(-c4ccccc4)no3)CC2)cc1.
What is the InChIKey of 5-[(4-benzylpiperidin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is XCHZJXXJXZTARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-3-7-17(8-4-1)15-18-11-13-24(14-12-18)16-20-22-21(23-25-20)19-9-5-2-6-10-19/h1-10,18H,11-16H2.
What are the key properties of 5-[(4-benzylpiperidin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole?
5-[(4-benzylpiperidin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 333.44 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-benzylpiperidin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 750953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).