5-(2-phenylethyl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole

C16H22N4O — CID 63343102

IUPAC5-(2-phenylethyl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
SMILESCC(c1noc(CCc2ccccc2)n1)N1CCNCC1
InChIInChI=1S/C16H22N4O/c1-13(20-11-9-17-10-12-20)16-18-15(21-19-16)8-7-14-5-3-2-4-6-14/h2-6,13,17H,7-12H2,1H3
InChIKeyPSNRUNVAAZSCQY-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.82
Rot. Bonds5

About 5-(2-phenylethyl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole

5-(2-phenylethyl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole (PubChem CID 63343102) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 5-(2-phenylethyl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-phenylethyl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
PubChem CID63343102
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name5-(2-phenylethyl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
SMILESCC(c1noc(CCc2ccccc2)n1)N1CCNCC1
InChIInChI=1S/C16H22N4O/c1-13(20-11-9-17-10-12-20)16-18-15(21-19-16)8-7-14-5-3-2-4-6-14/h2-6,13,17H,7-12H2,1H3
InChIKeyPSNRUNVAAZSCQY-UHFFFAOYSA-N
XLogP1.82
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(1-Methylethyl)-1,2,4-Oxadiazol-5-Yl]-N-[(1s,2r)-2-Phenylcyclopropyl]piperidine-1-Carboxamide
CID 49837853
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
CID 45271599
N-((1S)-3-(4-(3-isopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide
CID 44590946
(R)-3-amino-1-((S)-2-(5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl)-4-(2,4,5-trifluorophenyl)butan-1-one
CID 45102670
2-Phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 3474783
2-(4-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-1-piperazinyl)-N-isopropylacetamide
CID 16189966
(S)-N-(3-(4-(5-benzyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl)-1-phenylpropyl)cyclobutanecarboxamide
CID 44415740
(S)-N-(3-(4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl)-1-phenylpropyl)cyclobutanecarboxamide
CID 44415783
N-((1S)-3-(4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide
CID 44590945
(R)-3-amino-1-((S)-2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl)-4-(2,4,5-trifluorophenyl)butan-1-one
CID 45487922
4-(3-Benzyl-1,2,4-oxadiazol-5-yl)piperidine
CID 41541757
US10195201, Example 11
CID 138403697

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylethyl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-phenylethyl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole (CID 63343102) is 5-(2-phenylethyl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-phenylethyl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-phenylethyl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole is CC(c1noc(CCc2ccccc2)n1)N1CCNCC1.
What is the InChIKey of 5-(2-phenylethyl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole?
The InChIKey is PSNRUNVAAZSCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-13(20-11-9-17-10-12-20)16-18-15(21-19-16)8-7-14-5-3-2-4-6-14/h2-6,13,17H,7-12H2,1H3.
What are the key properties of 5-(2-phenylethyl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole?
5-(2-phenylethyl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole has a molecular weight of 286.38 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylethyl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 63343102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).