5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole

C17H19N5OS — CID 33034311

IUPAC5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
SMILESc1ccc(CN2CCN(Cc3nc(-c4ccsc4)no3)CC2)nc1
InChIInChI=1S/C17H19N5OS/c1-2-5-18-15(3-1)11-21-6-8-22(9-7-21)12-16-19-17(20-23-16)14-4-10-24-13-14/h1-5,10,13H,6-9,11-12H2
InChIKeyADKLRZVGYLQRFL-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.51
Rot. Bonds5

About 5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole

5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole (PubChem CID 33034311) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is 5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
PubChem CID33034311
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
SMILESc1ccc(CN2CCN(Cc3nc(-c4ccsc4)no3)CC2)nc1
InChIInChI=1S/C17H19N5OS/c1-2-5-18-15(3-1)11-21-6-8-22(9-7-21)12-16-19-17(20-23-16)14-4-10-24-13-14/h1-5,10,13H,6-9,11-12H2
InChIKeyADKLRZVGYLQRFL-UHFFFAOYSA-N
XLogP2.51
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole with MolForge

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Related Compounds

2-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol
CID 47010444
3-(3-methoxyphenyl)-5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 34728562
5-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 94897731
5-[[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 55411022
N-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride
CID 119923233
(R)-phenyl-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol
CID 51931966
4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 47052276
(3S)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119933666
3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-one
CID 17392838
[3-(phenoxymethyl)furan-2-yl]-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 30712110
5-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 29085047
[(1S,2R)-2-methylcyclopropyl]-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 38219276

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole (CID 33034311) is 5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole is c1ccc(CN2CCN(Cc3nc(-c4ccsc4)no3)CC2)nc1.
What is the InChIKey of 5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole?
The InChIKey is ADKLRZVGYLQRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-2-5-18-15(3-1)11-21-6-8-22(9-7-21)12-16-19-17(20-23-16)14-4-10-24-13-14/h1-5,10,13H,6-9,11-12H2.
What are the key properties of 5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole?
5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole has a molecular weight of 341.44 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 33034311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).