3-[5-[(4-benzylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenol

C21H23N3O2 — CID 110170900

IUPAC3-[5-[(4-benzylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenol
SMILESOc1cccc(-c2noc(CN3CCC(Cc4ccccc4)CC3)n2)c1
InChIInChI=1S/C21H23N3O2/c25-19-8-4-7-18(14-19)21-22-20(26-23-21)15-24-11-9-17(10-12-24)13-16-5-2-1-3-6-16/h1-8,14,17,25H,9-13,15H2
InChIKeyUZTMFHSUKMIKBJ-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.90
Rot. Bonds5

About 3-[5-[(4-benzylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenol

3-[5-[(4-benzylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 110170900) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-[5-[(4-benzylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name3-[5-[(4-benzylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenol
PubChem CID110170900
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name3-[5-[(4-benzylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenol
SMILESOc1cccc(-c2noc(CN3CCC(Cc4ccccc4)CC3)n2)c1
InChIInChI=1S/C21H23N3O2/c25-19-8-4-7-18(14-19)21-22-20(26-23-21)15-24-11-9-17(10-12-24)13-16-5-2-1-3-6-16/h1-8,14,17,25H,9-13,15H2
InChIKeyUZTMFHSUKMIKBJ-UHFFFAOYSA-N
XLogP3.90
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 42557787
4-[5-[5-[(4-benzylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine
CID 53162753
(4-benzylpiperidin-1-yl)-[1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone
CID 38151794
N-methyl-1-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanamine;hydrochloride
CID 119922630
(4-benzylpiperidin-1-yl)-[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone
CID 38153660
3-[5-(azetidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenol
CID 113310677
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 38139524
2-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 107922223
phenyl-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol
CID 110883986
3-[5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazol-3-yl]phenol
CID 107921225
5-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 9047136
N-[1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-3-phenylpropanamide
CID 55738316

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(4-benzylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenol?
The IUPAC name of 3-[5-[(4-benzylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenol (CID 110170900) is 3-[5-[(4-benzylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenol.
What is the SMILES notation for 3-[5-[(4-benzylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenol?
The canonical SMILES for 3-[5-[(4-benzylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenol is Oc1cccc(-c2noc(CN3CCC(Cc4ccccc4)CC3)n2)c1.
What is the InChIKey of 3-[5-[(4-benzylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenol?
The InChIKey is UZTMFHSUKMIKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c25-19-8-4-7-18(14-19)21-22-20(26-23-21)15-24-11-9-17(10-12-24)13-16-5-2-1-3-6-16/h1-8,14,17,25H,9-13,15H2.
What are the key properties of 3-[5-[(4-benzylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenol?
3-[5-[(4-benzylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenol has a molecular weight of 349.43 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(4-benzylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 110170900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).