5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-(2-methylphenyl)-1,2,4-oxadiazole

C25H25N5O2 — CID 46265168

IUPAC5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
SMILESCOc1ccccc1N1CCN(c2ncccc2-c2nc(-c3ccccc3C)no2)CC1
InChIInChI=1S/C25H25N5O2/c1-18-8-3-4-9-19(18)23-27-25(32-28-23)20-10-7-13-26-24(20)30-16-14-29(15-17-30)21-11-5-6-12-22(21)31-2/h3-13H,14-17H2,1-2H3
InChIKeyUNXYSIPSKQUJKE-UHFFFAOYSA-N
MW427.51 g/mol
LogP4.44
Rot. Bonds5

About 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-(2-methylphenyl)-1,2,4-oxadiazole

5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-(2-methylphenyl)-1,2,4-oxadiazole (PubChem CID 46265168) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-(2-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
PubChem CID46265168
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
SMILESCOc1ccccc1N1CCN(c2ncccc2-c2nc(-c3ccccc3C)no2)CC1
InChIInChI=1S/C25H25N5O2/c1-18-8-3-4-9-19(18)23-27-25(32-28-23)20-10-7-13-26-24(20)30-16-14-29(15-17-30)21-11-5-6-12-22(21)31-2/h3-13H,14-17H2,1-2H3
InChIKeyUNXYSIPSKQUJKE-UHFFFAOYSA-N
XLogP4.44
TPSA67.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-(2-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-(2-methylphenyl)-1,2,4-oxadiazole (CID 46265168) is 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-(2-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-(2-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-(2-methylphenyl)-1,2,4-oxadiazole is COc1ccccc1N1CCN(c2ncccc2-c2nc(-c3ccccc3C)no2)CC1.
What is the InChIKey of 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-(2-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is UNXYSIPSKQUJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-18-8-3-4-9-19(18)23-27-25(32-28-23)20-10-7-13-26-24(20)30-16-14-29(15-17-30)21-11-5-6-12-22(21)31-2/h3-13H,14-17H2,1-2H3.
What are the key properties of 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-(2-methylphenyl)-1,2,4-oxadiazole?
5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-(2-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 427.51 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-(2-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 46265168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).