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

C18H20N6O — CID 71924549

IUPAC3-methyl-5-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
SMILESCc1noc(-c2cccnc2N2CCN(Cc3ccccn3)CC2)n1
InChIInChI=1S/C18H20N6O/c1-14-21-18(25-22-14)16-6-4-8-20-17(16)24-11-9-23(10-12-24)13-15-5-2-3-7-19-15/h2-8H,9-13H2,1H3
InChIKeyNUMGPCVEWJYVBM-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.16
Rot. Bonds4

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

3-methyl-5-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole (PubChem CID 71924549) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 3-methyl-5-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
PubChem CID71924549
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name3-methyl-5-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
SMILESCc1noc(-c2cccnc2N2CCN(Cc3ccccn3)CC2)n1
InChIInChI=1S/C18H20N6O/c1-14-21-18(25-22-14)16-6-4-8-20-17(16)24-11-9-23(10-12-24)13-15-5-2-3-7-19-15/h2-8H,9-13H2,1H3
InChIKeyNUMGPCVEWJYVBM-UHFFFAOYSA-N
XLogP2.16
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

3-methyl-5-[2-[4-(3-methylbutyl)piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 133317102
5-[2-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole
CID 133321434
(2R)-1-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperazin-1-yl]propan-2-ol
CID 133486181
1-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperazin-1-yl]-2-phenylethanone
CID 133328444
3-methyl-5-[2-[4-(3-methylbutyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 133380752
3-methyl-5-[2-(3-pyridin-2-yloxypyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
CID 75382035
tert-butyl 4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperazine-1-carboxylate
CID 95929891
5-[2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 53182065
5-[2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-3-propyl-1,2,4-oxadiazole
CID 53182081
1-(4-ethylpiperazin-1-yl)-2-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]ethanone
CID 133321152
3-methyl-5-[2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 97319679
(2S)-2-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide
CID 97308419

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole (CID 71924549) is 3-methyl-5-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole is Cc1noc(-c2cccnc2N2CCN(Cc3ccccn3)CC2)n1.
What is the InChIKey of 3-methyl-5-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is NUMGPCVEWJYVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-14-21-18(25-22-14)16-6-4-8-20-17(16)24-11-9-23(10-12-24)13-15-5-2-3-7-19-15/h2-8H,9-13H2,1H3.
What are the key properties of 3-methyl-5-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole?
3-methyl-5-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 336.40 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 71924549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).