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

C19H18ClFN4O — CID 120756741

IUPAC3-(3-chlorophenyl)-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESFc1cccc(C2CNCCN2Cc2nc(-c3cccc(Cl)c3)no2)c1
InChIInChI=1S/C19H18ClFN4O/c20-15-5-1-4-14(9-15)19-23-18(26-24-19)12-25-8-7-22-11-17(25)13-3-2-6-16(21)10-13/h1-6,9-10,17,22H,7-8,11-12H2
InChIKeyQBEMXFTXOQYXKN-UHFFFAOYSA-N
MW372.83 g/mol
LogP3.68
Rot. Bonds4

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

3-(3-chlorophenyl)-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 120756741) has the molecular formula C19H18ClFN4O and a molecular weight of 372.83 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-chlorophenyl)-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID120756741
Molecular FormulaC19H18ClFN4O
Molecular Weight372.83 g/mol
Exact Mass372.12
IUPAC Name3-(3-chlorophenyl)-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESFc1cccc(C2CNCCN2Cc2nc(-c3cccc(Cl)c3)no2)c1
InChIInChI=1S/C19H18ClFN4O/c20-15-5-1-4-14(9-15)19-23-18(26-24-19)12-25-8-7-22-11-17(25)13-3-2-6-16(21)10-13/h1-6,9-10,17,22H,7-8,11-12H2
InChIKeyQBEMXFTXOQYXKN-UHFFFAOYSA-N
XLogP3.68
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.83
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole;hydrochloride
CID 120757172
5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride
CID 120770738
3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole;hydrochloride
CID 120756844
3-(1-ethoxyethyl)-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride
CID 120757102
5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole
CID 120771222
5-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride
CID 120757781
3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2-oxazole
CID 120756803
4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-phenyl-1,3-oxazole
CID 120756729
4-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)morpholine
CID 55566054
2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 120770952
2-(3-fluorophenyl)-1-(pyridin-4-ylmethyl)piperazine;hydrochloride
CID 120768605
4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole;hydrochloride
CID 120757064

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(3-chlorophenyl)-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole (CID 120756741) is 3-(3-chlorophenyl)-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-chlorophenyl)-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-chlorophenyl)-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole is Fc1cccc(C2CNCCN2Cc2nc(-c3cccc(Cl)c3)no2)c1.
What is the InChIKey of 3-(3-chlorophenyl)-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is QBEMXFTXOQYXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN4O/c20-15-5-1-4-14(9-15)19-23-18(26-24-19)12-25-8-7-22-11-17(25)13-3-2-6-16(21)10-13/h1-6,9-10,17,22H,7-8,11-12H2.
What are the key properties of 3-(3-chlorophenyl)-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
3-(3-chlorophenyl)-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 372.83 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 120756741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).