3-phenyl-5-[6-(4-propylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole

C20H23N5O — CID 53037147

IUPAC3-phenyl-5-[6-(4-propylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
SMILESCCCN1CCN(c2ccc(-c3nc(-c4ccccc4)no3)cn2)CC1
InChIInChI=1S/C20H23N5O/c1-2-10-24-11-13-25(14-12-24)18-9-8-17(15-21-18)20-22-19(23-26-20)16-6-4-3-5-7-16/h3-9,15H,2,10-14H2,1H3
InChIKeyILAWBCPXJVDSPH-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.33
Rot. Bonds5

About 3-phenyl-5-[6-(4-propylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole

3-phenyl-5-[6-(4-propylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole (PubChem CID 53037147) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 3-phenyl-5-[6-(4-propylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-phenyl-5-[6-(4-propylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
PubChem CID53037147
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name3-phenyl-5-[6-(4-propylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
SMILESCCCN1CCN(c2ccc(-c3nc(-c4ccccc4)no3)cn2)CC1
InChIInChI=1S/C20H23N5O/c1-2-10-24-11-13-25(14-12-24)18-9-8-17(15-21-18)20-22-19(23-26-20)16-6-4-3-5-7-16/h3-9,15H,2,10-14H2,1H3
InChIKeyILAWBCPXJVDSPH-UHFFFAOYSA-N
XLogP3.33
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[6-(4-propylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 3-phenyl-5-[6-(4-propylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole (CID 53037147) is 3-phenyl-5-[6-(4-propylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-phenyl-5-[6-(4-propylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-phenyl-5-[6-(4-propylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole is CCCN1CCN(c2ccc(-c3nc(-c4ccccc4)no3)cn2)CC1.
What is the InChIKey of 3-phenyl-5-[6-(4-propylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is ILAWBCPXJVDSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-2-10-24-11-13-25(14-12-24)18-9-8-17(15-21-18)20-22-19(23-26-20)16-6-4-3-5-7-16/h3-9,15H,2,10-14H2,1H3.
What are the key properties of 3-phenyl-5-[6-(4-propylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole?
3-phenyl-5-[6-(4-propylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 349.44 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[6-(4-propylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 53037147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).