5-[1-(4-phenylpiperazin-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole

C18H20N4OS — CID 51113619

IUPAC5-[1-(4-phenylpiperazin-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESCC(c1nc(-c2cccs2)no1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H20N4OS/c1-14(18-19-17(20-23-18)16-8-5-13-24-16)21-9-11-22(12-10-21)15-6-3-2-4-7-15/h2-8,13-14H,9-12H2,1H3
InChIKeyTWFJDZAGCMTHDS-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.68
Rot. Bonds4

About 5-[1-(4-phenylpiperazin-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole

5-[1-(4-phenylpiperazin-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 51113619) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 5-[1-(4-phenylpiperazin-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(4-phenylpiperazin-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID51113619
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name5-[1-(4-phenylpiperazin-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESCC(c1nc(-c2cccs2)no1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H20N4OS/c1-14(18-19-17(20-23-18)16-8-5-13-24-16)21-9-11-22(12-10-21)15-6-3-2-4-7-15/h2-8,13-14H,9-12H2,1H3
InChIKeyTWFJDZAGCMTHDS-UHFFFAOYSA-N
XLogP3.68
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(1S)-1-(4-ethylpiperazin-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 95153364
1-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol
CID 110887633
(2S,6S)-2,6-dimethyl-4-[(1R)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine
CID 98950692
(2R)-1-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-2-ol
CID 111488051
(3S,4R)-4-phenyl-1-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-amine
CID 120760924
2-amino-1-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone;dihydrochloride
CID 119868196
(1-aminocyclopropyl)-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119868166
5-[1-[4-(4-methyl-2-nitrophenyl)piperazin-1-yl]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 133389685
5-[(1S)-1-(2,3-dihydroindol-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 99626994
(1S)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 40800258
(1-aminocyclohexyl)-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119868200
3-phenyl-5-[(1S)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 40897910

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-phenylpiperazin-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(4-phenylpiperazin-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole (CID 51113619) is 5-[1-(4-phenylpiperazin-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(4-phenylpiperazin-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(4-phenylpiperazin-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole is CC(c1nc(-c2cccs2)no1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 5-[1-(4-phenylpiperazin-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is TWFJDZAGCMTHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-14(18-19-17(20-23-18)16-8-5-13-24-16)21-9-11-22(12-10-21)15-6-3-2-4-7-15/h2-8,13-14H,9-12H2,1H3.
What are the key properties of 5-[1-(4-phenylpiperazin-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
5-[1-(4-phenylpiperazin-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 340.45 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-phenylpiperazin-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 51113619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).