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

C20H21FN4O — CID 2997397

IUPAC5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
SMILESCc1cccc(-c2noc(CN3CCN(c4ccccc4F)CC3)n2)c1
InChIInChI=1S/C20H21FN4O/c1-15-5-4-6-16(13-15)20-22-19(26-23-20)14-24-9-11-25(12-10-24)18-8-3-2-7-17(18)21/h2-8,13H,9-12,14H2,1H3
InChIKeyJQKBQBFTXBRYGF-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.51
Rot. Bonds4

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

5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole (PubChem CID 2997397) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is 5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
PubChem CID2997397
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
SMILESCc1cccc(-c2noc(CN3CCN(c4ccccc4F)CC3)n2)c1
InChIInChI=1S/C20H21FN4O/c1-15-5-4-6-16(13-15)20-22-19(26-23-20)14-24-9-11-25(12-10-24)18-8-3-2-7-17(18)21/h2-8,13H,9-12,14H2,1H3
InChIKeyJQKBQBFTXBRYGF-UHFFFAOYSA-N
XLogP3.51
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole (CID 2997397) is 5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole is Cc1cccc(-c2noc(CN3CCN(c4ccccc4F)CC3)n2)c1.
What is the InChIKey of 5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is JQKBQBFTXBRYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c1-15-5-4-6-16(13-15)20-22-19(26-23-20)14-24-9-11-25(12-10-24)18-8-3-2-7-17(18)21/h2-8,13H,9-12,14H2,1H3.
What are the key properties of 5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole?
5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 352.41 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 2997397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).