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

C20H20ClFN4O — CID 42532498

IUPAC5-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole
SMILESFc1cccc(Cc2noc(CN3CCN(c4ccc(Cl)cc4)CC3)n2)c1
InChIInChI=1S/C20H20ClFN4O/c21-16-4-6-18(7-5-16)26-10-8-25(9-11-26)14-20-23-19(24-27-20)13-15-2-1-3-17(22)12-15/h1-7,12H,8-11,13-14H2
InChIKeyAGQCLJXTTGMOFL-UHFFFAOYSA-N
MW386.86 g/mol
LogP3.78
Rot. Bonds5

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

5-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole (PubChem CID 42532498) has the molecular formula C20H20ClFN4O and a molecular weight of 386.86 g/mol. Its IUPAC name is 5-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole
PubChem CID42532498
Molecular FormulaC20H20ClFN4O
Molecular Weight386.86 g/mol
Exact Mass386.13
IUPAC Name5-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole
SMILESFc1cccc(Cc2noc(CN3CCN(c4ccc(Cl)cc4)CC3)n2)c1
InChIInChI=1S/C20H20ClFN4O/c21-16-4-6-18(7-5-16)26-10-8-25(9-11-26)14-20-23-19(24-27-20)13-15-2-1-3-17(22)12-15/h1-7,12H,8-11,13-14H2
InChIKeyAGQCLJXTTGMOFL-UHFFFAOYSA-N
XLogP3.78
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole (CID 42532498) is 5-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole is Fc1cccc(Cc2noc(CN3CCN(c4ccc(Cl)cc4)CC3)n2)c1.
What is the InChIKey of 5-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole?
The InChIKey is AGQCLJXTTGMOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN4O/c21-16-4-6-18(7-5-16)26-10-8-25(9-11-26)14-20-23-19(24-27-20)13-15-2-1-3-17(22)12-15/h1-7,12H,8-11,13-14H2.
What are the key properties of 5-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole?
5-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole has a molecular weight of 386.86 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 42532498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).