2-(5-fluoro-2-methoxyphenyl)-5-piperazin-1-yl-1,3,4-oxadiazole

C13H15FN4O2 — CID 98021587

IUPAC2-(5-fluoro-2-methoxyphenyl)-5-piperazin-1-yl-1,3,4-oxadiazole
SMILESCOc1ccc(F)cc1-c1nnc(N2CCNCC2)o1
InChIInChI=1S/C13H15FN4O2/c1-19-11-3-2-9(14)8-10(11)12-16-17-13(20-12)18-6-4-15-5-7-18/h2-3,8,15H,4-7H2,1H3
InChIKeyJNXPDXANOUEPEX-UHFFFAOYSA-N
MW278.29 g/mol
LogP1.29
Rot. Bonds3

About 2-(5-fluoro-2-methoxyphenyl)-5-piperazin-1-yl-1,3,4-oxadiazole

2-(5-fluoro-2-methoxyphenyl)-5-piperazin-1-yl-1,3,4-oxadiazole (PubChem CID 98021587) has the molecular formula C13H15FN4O2 and a molecular weight of 278.29 g/mol. Its IUPAC name is 2-(5-fluoro-2-methoxyphenyl)-5-piperazin-1-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5-fluoro-2-methoxyphenyl)-5-piperazin-1-yl-1,3,4-oxadiazole
PubChem CID98021587
Molecular FormulaC13H15FN4O2
Molecular Weight278.29 g/mol
Exact Mass278.12
IUPAC Name2-(5-fluoro-2-methoxyphenyl)-5-piperazin-1-yl-1,3,4-oxadiazole
SMILESCOc1ccc(F)cc1-c1nnc(N2CCNCC2)o1
InChIInChI=1S/C13H15FN4O2/c1-19-11-3-2-9(14)8-10(11)12-16-17-13(20-12)18-6-4-15-5-7-18/h2-3,8,15H,4-7H2,1H3
InChIKeyJNXPDXANOUEPEX-UHFFFAOYSA-N
XLogP1.29
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methoxyphenyl)-5-piperazin-1-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(5-fluoro-2-methoxyphenyl)-5-piperazin-1-yl-1,3,4-oxadiazole (CID 98021587) is 2-(5-fluoro-2-methoxyphenyl)-5-piperazin-1-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5-fluoro-2-methoxyphenyl)-5-piperazin-1-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(5-fluoro-2-methoxyphenyl)-5-piperazin-1-yl-1,3,4-oxadiazole is COc1ccc(F)cc1-c1nnc(N2CCNCC2)o1.
What is the InChIKey of 2-(5-fluoro-2-methoxyphenyl)-5-piperazin-1-yl-1,3,4-oxadiazole?
The InChIKey is JNXPDXANOUEPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O2/c1-19-11-3-2-9(14)8-10(11)12-16-17-13(20-12)18-6-4-15-5-7-18/h2-3,8,15H,4-7H2,1H3.
What are the key properties of 2-(5-fluoro-2-methoxyphenyl)-5-piperazin-1-yl-1,3,4-oxadiazole?
2-(5-fluoro-2-methoxyphenyl)-5-piperazin-1-yl-1,3,4-oxadiazole has a molecular weight of 278.29 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methoxyphenyl)-5-piperazin-1-yl-1,3,4-oxadiazole is sourced from PubChem (CID 98021587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).