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

C18H16F2N4O — CID 46342068

IUPAC3-(2-fluorophenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-oxadiazole
SMILESFc1ccc(N2CCN(c3nc(-c4ccccc4F)no3)CC2)cc1
InChIInChI=1S/C18H16F2N4O/c19-13-5-7-14(8-6-13)23-9-11-24(12-10-23)18-21-17(22-25-18)15-3-1-2-4-16(15)20/h1-8H,9-12H2
InChIKeyWDHBUNWVCQHTHF-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.34
Rot. Bonds3

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

3-(2-fluorophenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-oxadiazole (PubChem CID 46342068) has the molecular formula C18H16F2N4O and a molecular weight of 342.35 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-fluorophenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-oxadiazole
PubChem CID46342068
Molecular FormulaC18H16F2N4O
Molecular Weight342.35 g/mol
Exact Mass342.13
IUPAC Name3-(2-fluorophenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-oxadiazole
SMILESFc1ccc(N2CCN(c3nc(-c4ccccc4F)no3)CC2)cc1
InChIInChI=1S/C18H16F2N4O/c19-13-5-7-14(8-6-13)23-9-11-24(12-10-23)18-21-17(22-25-18)15-3-1-2-4-16(15)20/h1-8H,9-12H2
InChIKeyWDHBUNWVCQHTHF-UHFFFAOYSA-N
XLogP3.34
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2-fluorophenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-oxadiazole (CID 46342068) is 3-(2-fluorophenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-fluorophenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-fluorophenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-oxadiazole is Fc1ccc(N2CCN(c3nc(-c4ccccc4F)no3)CC2)cc1.
What is the InChIKey of 3-(2-fluorophenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-oxadiazole?
The InChIKey is WDHBUNWVCQHTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O/c19-13-5-7-14(8-6-13)23-9-11-24(12-10-23)18-21-17(22-25-18)15-3-1-2-4-16(15)20/h1-8H,9-12H2.
What are the key properties of 3-(2-fluorophenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-oxadiazole?
3-(2-fluorophenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-oxadiazole has a molecular weight of 342.35 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 46342068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).