3-pyrazin-2-yl-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole

C16H17N7O — CID 86805292

IUPAC3-pyrazin-2-yl-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESc1ccc(N2CCN(Cc3nc(-c4cnccn4)no3)CC2)nc1
InChIInChI=1S/C16H17N7O/c1-2-4-19-14(3-1)23-9-7-22(8-10-23)12-15-20-16(21-24-15)13-11-17-5-6-18-13/h1-6,11H,7-10,12H2
InChIKeyRCCUERMIDJJBMC-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.24
Rot. Bonds4

About 3-pyrazin-2-yl-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole

3-pyrazin-2-yl-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 86805292) has the molecular formula C16H17N7O and a molecular weight of 323.36 g/mol. Its IUPAC name is 3-pyrazin-2-yl-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-pyrazin-2-yl-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID86805292
Molecular FormulaC16H17N7O
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC Name3-pyrazin-2-yl-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESc1ccc(N2CCN(Cc3nc(-c4cnccn4)no3)CC2)nc1
InChIInChI=1S/C16H17N7O/c1-2-4-19-14(3-1)23-9-7-22(8-10-23)12-15-20-16(21-24-15)13-11-17-5-6-18-13/h1-6,11H,7-10,12H2
InChIKeyRCCUERMIDJJBMC-UHFFFAOYSA-N
XLogP1.24
TPSA84.07 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-(3-methylphenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 2997220
3-(phenoxymethyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 29026870
3-pyrazin-2-yl-5-[(4-pyridin-4-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 42521587
3-methyl-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 18168055
1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine
CID 110277887
3-[(4-methoxyphenoxy)methyl]-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 17488526
3-pyridin-2-yl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 25282589
5-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 29085047
3-pyridin-2-yl-5-[(4-thiomorpholin-4-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 29084658
(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanol
CID 63758301
5-phenyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
CID 18167942
3-pyridin-3-yl-5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 51312105

Frequently Asked Questions

What is the IUPAC name of 3-pyrazin-2-yl-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-pyrazin-2-yl-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (CID 86805292) is 3-pyrazin-2-yl-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-pyrazin-2-yl-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-pyrazin-2-yl-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is c1ccc(N2CCN(Cc3nc(-c4cnccn4)no3)CC2)nc1.
What is the InChIKey of 3-pyrazin-2-yl-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is RCCUERMIDJJBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O/c1-2-4-19-14(3-1)23-9-7-22(8-10-23)12-15-20-16(21-24-15)13-11-17-5-6-18-13/h1-6,11H,7-10,12H2.
What are the key properties of 3-pyrazin-2-yl-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
3-pyrazin-2-yl-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 323.36 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazin-2-yl-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 86805292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).