3-(2-phenylmethoxyphenyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole

C22H25N3O2 — CID 120839849

IUPAC3-(2-phenylmethoxyphenyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
SMILESc1ccc(COc2ccccc2-c2noc(CCC3CCNCC3)n2)cc1
InChIInChI=1S/C22H25N3O2/c1-2-6-18(7-3-1)16-26-20-9-5-4-8-19(20)22-24-21(27-25-22)11-10-17-12-14-23-15-13-17/h1-9,17,23H,10-16H2
InChIKeyVUHGEPUXHWIDJD-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.25
Rot. Bonds7

About 3-(2-phenylmethoxyphenyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole

3-(2-phenylmethoxyphenyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole (PubChem CID 120839849) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-(2-phenylmethoxyphenyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-phenylmethoxyphenyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
PubChem CID120839849
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name3-(2-phenylmethoxyphenyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
SMILESc1ccc(COc2ccccc2-c2noc(CCC3CCNCC3)n2)cc1
InChIInChI=1S/C22H25N3O2/c1-2-6-18(7-3-1)16-26-20-9-5-4-8-19(20)22-24-21(27-25-22)11-10-17-12-14-23-15-13-17/h1-9,17,23H,10-16H2
InChIKeyVUHGEPUXHWIDJD-UHFFFAOYSA-N
XLogP4.25
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylmethoxyphenyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-phenylmethoxyphenyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole (CID 120839849) is 3-(2-phenylmethoxyphenyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-phenylmethoxyphenyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-phenylmethoxyphenyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole is c1ccc(COc2ccccc2-c2noc(CCC3CCNCC3)n2)cc1.
What is the InChIKey of 3-(2-phenylmethoxyphenyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole?
The InChIKey is VUHGEPUXHWIDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-2-6-18(7-3-1)16-26-20-9-5-4-8-19(20)22-24-21(27-25-22)11-10-17-12-14-23-15-13-17/h1-9,17,23H,10-16H2.
What are the key properties of 3-(2-phenylmethoxyphenyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole?
3-(2-phenylmethoxyphenyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole has a molecular weight of 363.46 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylmethoxyphenyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 120839849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).