2-(4-pyridin-2-ylpiperazin-1-yl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole

C20H23N5O4 — CID 162647442

IUPAC2-(4-pyridin-2-ylpiperazin-1-yl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1cc(-c2nnc(N3CCN(c4ccccn4)CC3)o2)cc(OC)c1OC
InChIInChI=1S/C20H23N5O4/c1-26-15-12-14(13-16(27-2)18(15)28-3)19-22-23-20(29-19)25-10-8-24(9-11-25)17-6-4-5-7-21-17/h4-7,12-13H,8-11H2,1-3H3
InChIKeySPBDMKHPKACUMT-UHFFFAOYSA-N
MW397.44 g/mol
LogP2.48
Rot. Bonds6

About 2-(4-pyridin-2-ylpiperazin-1-yl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole

2-(4-pyridin-2-ylpiperazin-1-yl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole (PubChem CID 162647442) has the molecular formula C20H23N5O4 and a molecular weight of 397.44 g/mol. Its IUPAC name is 2-(4-pyridin-2-ylpiperazin-1-yl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-pyridin-2-ylpiperazin-1-yl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
PubChem CID162647442
Molecular FormulaC20H23N5O4
Molecular Weight397.44 g/mol
Exact Mass397.18
IUPAC Name2-(4-pyridin-2-ylpiperazin-1-yl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1cc(-c2nnc(N3CCN(c4ccccn4)CC3)o2)cc(OC)c1OC
InChIInChI=1S/C20H23N5O4/c1-26-15-12-14(13-16(27-2)18(15)28-3)19-22-23-20(29-19)25-10-8-24(9-11-25)17-6-4-5-7-21-17/h4-7,12-13H,8-11H2,1-3H3
InChIKeySPBDMKHPKACUMT-UHFFFAOYSA-N
XLogP2.48
TPSA85.98 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(4-pyridin-2-ylpiperazin-1-yl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-pyridin-2-ylpiperazin-1-yl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole (CID 162647442) is 2-(4-pyridin-2-ylpiperazin-1-yl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-pyridin-2-ylpiperazin-1-yl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-pyridin-2-ylpiperazin-1-yl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole is COc1cc(-c2nnc(N3CCN(c4ccccn4)CC3)o2)cc(OC)c1OC.
What is the InChIKey of 2-(4-pyridin-2-ylpiperazin-1-yl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole?
The InChIKey is SPBDMKHPKACUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4/c1-26-15-12-14(13-16(27-2)18(15)28-3)19-22-23-20(29-19)25-10-8-24(9-11-25)17-6-4-5-7-21-17/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of 2-(4-pyridin-2-ylpiperazin-1-yl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole?
2-(4-pyridin-2-ylpiperazin-1-yl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole has a molecular weight of 397.44 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyridin-2-ylpiperazin-1-yl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 162647442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).