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

C24H22FN5O — CID 46265176

IUPAC5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
SMILESCc1cccc(-c2noc(-c3cccnc3N3CCN(c4ccccc4F)CC3)n2)c1
InChIInChI=1S/C24H22FN5O/c1-17-6-4-7-18(16-17)22-27-24(31-28-22)19-8-5-11-26-23(19)30-14-12-29(13-15-30)21-10-3-2-9-20(21)25/h2-11,16H,12-15H2,1H3
InChIKeyIPKLAAAXZITGHW-UHFFFAOYSA-N
MW415.47 g/mol
LogP4.57
Rot. Bonds4

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

5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole (PubChem CID 46265176) has the molecular formula C24H22FN5O and a molecular weight of 415.47 g/mol. Its IUPAC name is 5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
PubChem CID46265176
Molecular FormulaC24H22FN5O
Molecular Weight415.47 g/mol
Exact Mass415.18
IUPAC Name5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
SMILESCc1cccc(-c2noc(-c3cccnc3N3CCN(c4ccccc4F)CC3)n2)c1
InChIInChI=1S/C24H22FN5O/c1-17-6-4-7-18(16-17)22-27-24(31-28-22)19-8-5-11-26-23(19)30-14-12-29(13-15-30)21-10-3-2-9-20(21)25/h2-11,16H,12-15H2,1H3
InChIKeyIPKLAAAXZITGHW-UHFFFAOYSA-N
XLogP4.57
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole (CID 46265176) is 5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole is Cc1cccc(-c2noc(-c3cccnc3N3CCN(c4ccccc4F)CC3)n2)c1.
What is the InChIKey of 5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is IPKLAAAXZITGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O/c1-17-6-4-7-18(16-17)22-27-24(31-28-22)19-8-5-11-26-23(19)30-14-12-29(13-15-30)21-10-3-2-9-20(21)25/h2-11,16H,12-15H2,1H3.
What are the key properties of 5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole?
5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 415.47 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 46265176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).