2-[4-[[3-(1-benzylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-N-hydroxyacetamide

C23H26N4O4 — CID 155511305

IUPAC2-[4-[[3-(1-benzylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-N-hydroxyacetamide
SMILESO=C(Cc1ccc(OCc2nc(C3CCN(Cc4ccccc4)CC3)no2)cc1)NO
InChIInChI=1S/C23H26N4O4/c28-21(25-29)14-17-6-8-20(9-7-17)30-16-22-24-23(26-31-22)19-10-12-27(13-11-19)15-18-4-2-1-3-5-18/h1-9,19,29H,10-16H2,(H,25,28)
InChIKeyOKTOMOSVBVFSBJ-UHFFFAOYSA-N
MW422.49 g/mol
LogP3.08
Rot. Bonds8

About 2-[4-[[3-(1-benzylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-N-hydroxyacetamide

2-[4-[[3-(1-benzylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-N-hydroxyacetamide (PubChem CID 155511305) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is 2-[4-[[3-(1-benzylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[4-[[3-(1-benzylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-N-hydroxyacetamide
PubChem CID155511305
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Name2-[4-[[3-(1-benzylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-N-hydroxyacetamide
SMILESO=C(Cc1ccc(OCc2nc(C3CCN(Cc4ccccc4)CC3)no2)cc1)NO
InChIInChI=1S/C23H26N4O4/c28-21(25-29)14-17-6-8-20(9-7-17)30-16-22-24-23(26-31-22)19-10-12-27(13-11-19)15-18-4-2-1-3-5-18/h1-9,19,29H,10-16H2,(H,25,28)
InChIKeyOKTOMOSVBVFSBJ-UHFFFAOYSA-N
XLogP3.08
TPSA100.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[4-[[3-(1-benzylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-N-hydroxypropanamide
CID 155548498
4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid
CID 43473114
N-[[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 61495910
5-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-2-carboxylic acid
CID 79794330
5-[(4-bromophenoxy)methyl]-3-cyclopropyl-1,2,4-oxadiazole
CID 60773437
2-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-ol
CID 75499143
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 16895674
4-[4-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 91663399
(3S)-3-[4-[[4-[[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]phenyl]methoxy]phenyl]hex-4-enoic acid
CID 141479697
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38115433
2-chloro-4-[[4-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methyl]benzoic acid
CID 136555512
3-[(3S)-oxolan-3-yl]-5-(phenoxymethyl)-1,2,4-oxadiazole
CID 97082819

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(1-benzylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-N-hydroxyacetamide?
The IUPAC name of 2-[4-[[3-(1-benzylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-N-hydroxyacetamide (CID 155511305) is 2-[4-[[3-(1-benzylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-N-hydroxyacetamide.
What is the SMILES notation for 2-[4-[[3-(1-benzylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-N-hydroxyacetamide?
The canonical SMILES for 2-[4-[[3-(1-benzylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-N-hydroxyacetamide is O=C(Cc1ccc(OCc2nc(C3CCN(Cc4ccccc4)CC3)no2)cc1)NO.
What is the InChIKey of 2-[4-[[3-(1-benzylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-N-hydroxyacetamide?
The InChIKey is OKTOMOSVBVFSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c28-21(25-29)14-17-6-8-20(9-7-17)30-16-22-24-23(26-31-22)19-10-12-27(13-11-19)15-18-4-2-1-3-5-18/h1-9,19,29H,10-16H2,(H,25,28).
What are the key properties of 2-[4-[[3-(1-benzylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-N-hydroxyacetamide?
2-[4-[[3-(1-benzylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-N-hydroxyacetamide has a molecular weight of 422.49 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(1-benzylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-N-hydroxyacetamide is sourced from PubChem (CID 155511305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).