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

C19H19N5O3 — CID 22432368

IUPAC2-(1,3-benzodioxol-5-yl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
SMILESc1ccc(N2CCN(Cc3nnc(-c4ccc5c(c4)OCO5)o3)CC2)nc1
InChIInChI=1S/C19H19N5O3/c1-2-6-20-17(3-1)24-9-7-23(8-10-24)12-18-21-22-19(27-18)14-4-5-15-16(11-14)26-13-25-15/h1-6,11H,7-10,12-13H2
InChIKeyALBJCPVPKRBXNW-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.18
Rot. Bonds4

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

2-(1,3-benzodioxol-5-yl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole (PubChem CID 22432368) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
PubChem CID22432368
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name2-(1,3-benzodioxol-5-yl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
SMILESc1ccc(N2CCN(Cc3nnc(-c4ccc5c(c4)OCO5)o3)CC2)nc1
InChIInChI=1S/C19H19N5O3/c1-2-6-20-17(3-1)24-9-7-23(8-10-24)12-18-21-22-19(27-18)14-4-5-15-16(11-14)26-13-25-15/h1-6,11H,7-10,12-13H2
InChIKeyALBJCPVPKRBXNW-UHFFFAOYSA-N
XLogP2.18
TPSA76.75 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole (CID 22432368) is 2-(1,3-benzodioxol-5-yl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole is c1ccc(N2CCN(Cc3nnc(-c4ccc5c(c4)OCO5)o3)CC2)nc1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is ALBJCPVPKRBXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-2-6-20-17(3-1)24-9-7-23(8-10-24)12-18-21-22-19(27-18)14-4-5-15-16(11-14)26-13-25-15/h1-6,11H,7-10,12-13H2.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
2-(1,3-benzodioxol-5-yl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 365.39 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 22432368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).