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

C14H17FN4O — CID 28808936

IUPAC2-[2-(4-fluorophenyl)ethyl]-5-piperazin-1-yl-1,3,4-oxadiazole
SMILESFc1ccc(CCc2nnc(N3CCNCC3)o2)cc1
InChIInChI=1S/C14H17FN4O/c15-12-4-1-11(2-5-12)3-6-13-17-18-14(20-13)19-9-7-16-8-10-19/h1-2,4-5,16H,3,6-10H2
InChIKeyVOBGCVFVHXSTKC-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.40
Rot. Bonds4

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

2-[2-(4-fluorophenyl)ethyl]-5-piperazin-1-yl-1,3,4-oxadiazole (PubChem CID 28808936) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)ethyl]-5-piperazin-1-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)ethyl]-5-piperazin-1-yl-1,3,4-oxadiazole
PubChem CID28808936
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Name2-[2-(4-fluorophenyl)ethyl]-5-piperazin-1-yl-1,3,4-oxadiazole
SMILESFc1ccc(CCc2nnc(N3CCNCC3)o2)cc1
InChIInChI=1S/C14H17FN4O/c15-12-4-1-11(2-5-12)3-6-13-17-18-14(20-13)19-9-7-16-8-10-19/h1-2,4-5,16H,3,6-10H2
InChIKeyVOBGCVFVHXSTKC-UHFFFAOYSA-N
XLogP1.40
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)ethyl]-5-piperazin-1-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[2-(4-fluorophenyl)ethyl]-5-piperazin-1-yl-1,3,4-oxadiazole (CID 28808936) is 2-[2-(4-fluorophenyl)ethyl]-5-piperazin-1-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-(4-fluorophenyl)ethyl]-5-piperazin-1-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-(4-fluorophenyl)ethyl]-5-piperazin-1-yl-1,3,4-oxadiazole is Fc1ccc(CCc2nnc(N3CCNCC3)o2)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)ethyl]-5-piperazin-1-yl-1,3,4-oxadiazole?
The InChIKey is VOBGCVFVHXSTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c15-12-4-1-11(2-5-12)3-6-13-17-18-14(20-13)19-9-7-16-8-10-19/h1-2,4-5,16H,3,6-10H2.
What are the key properties of 2-[2-(4-fluorophenyl)ethyl]-5-piperazin-1-yl-1,3,4-oxadiazole?
2-[2-(4-fluorophenyl)ethyl]-5-piperazin-1-yl-1,3,4-oxadiazole has a molecular weight of 276.31 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)ethyl]-5-piperazin-1-yl-1,3,4-oxadiazole is sourced from PubChem (CID 28808936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).