2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-(3-piperidin-1-ylpropyl)acetamide

C24H28N4O3 — CID 50791788

IUPAC2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-(3-piperidin-1-ylpropyl)acetamide
SMILESO=C(COc1ccccc1-c1nnc(-c2ccccc2)o1)NCCCN1CCCCC1
InChIInChI=1S/C24H28N4O3/c29-22(25-14-9-17-28-15-7-2-8-16-28)18-30-21-13-6-5-12-20(21)24-27-26-23(31-24)19-10-3-1-4-11-19/h1,3-6,10-13H,2,7-9,14-18H2,(H,25,29)
InChIKeyHWDFQUSWAGWXLS-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.77
Rot. Bonds9

About 2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-(3-piperidin-1-ylpropyl)acetamide

2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-(3-piperidin-1-ylpropyl)acetamide (PubChem CID 50791788) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-(3-piperidin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-(3-piperidin-1-ylpropyl)acetamide
PubChem CID50791788
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-(3-piperidin-1-ylpropyl)acetamide
SMILESO=C(COc1ccccc1-c1nnc(-c2ccccc2)o1)NCCCN1CCCCC1
InChIInChI=1S/C24H28N4O3/c29-22(25-14-9-17-28-15-7-2-8-16-28)18-30-21-13-6-5-12-20(21)24-27-26-23(31-24)19-10-3-1-4-11-19/h1,3-6,10-13H,2,7-9,14-18H2,(H,25,29)
InChIKeyHWDFQUSWAGWXLS-UHFFFAOYSA-N
XLogP3.77
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylbutyl)-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 20943758
N-benzyl-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 20939884
N-[(2-chlorophenyl)methyl]-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 20939886
N-[(2-fluorophenyl)methyl]-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 20943791
N-[(2-ethoxyphenyl)methyl]-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 20943792
2-(4-phenylmethoxyphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide
CID 9405904
2-(2-hydroxyphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide
CID 78784092
2-(4-acetyl-2-methoxyphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide
CID 30540651
2-(2-methoxyphenoxy)-N-[5-(4-methylpiperazin-1-yl)pentyl]acetamide
CID 110443295
N-[4-(4-methylpiperidin-1-yl)butyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide
CID 47888987
N-[2-[[2-(2-phenylphenoxy)acetyl]amino]ethyl]cyclopropanecarboxamide
CID 51153241
2-(2-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119392768

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-(3-piperidin-1-ylpropyl)acetamide?
The IUPAC name of 2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-(3-piperidin-1-ylpropyl)acetamide (CID 50791788) is 2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-(3-piperidin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-(3-piperidin-1-ylpropyl)acetamide?
The canonical SMILES for 2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-(3-piperidin-1-ylpropyl)acetamide is O=C(COc1ccccc1-c1nnc(-c2ccccc2)o1)NCCCN1CCCCC1.
What is the InChIKey of 2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-(3-piperidin-1-ylpropyl)acetamide?
The InChIKey is HWDFQUSWAGWXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c29-22(25-14-9-17-28-15-7-2-8-16-28)18-30-21-13-6-5-12-20(21)24-27-26-23(31-24)19-10-3-1-4-11-19/h1,3-6,10-13H,2,7-9,14-18H2,(H,25,29).
What are the key properties of 2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-(3-piperidin-1-ylpropyl)acetamide?
2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-(3-piperidin-1-ylpropyl)acetamide has a molecular weight of 420.51 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-(3-piperidin-1-ylpropyl)acetamide is sourced from PubChem (CID 50791788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).