2-(4-fluoro-3-piperazin-1-ylphenyl)-5-methyl-1,3,4-oxadiazole

C13H15FN4O — CID 59854814

IUPAC2-(4-fluoro-3-piperazin-1-ylphenyl)-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2ccc(F)c(N3CCNCC3)c2)o1
InChIInChI=1S/C13H15FN4O/c1-9-16-17-13(19-9)10-2-3-11(14)12(8-10)18-6-4-15-5-7-18/h2-3,8,15H,4-7H2,1H3
InChIKeyLNLFLVYNCOXINO-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.59
Rot. Bonds2

About 2-(4-fluoro-3-piperazin-1-ylphenyl)-5-methyl-1,3,4-oxadiazole

2-(4-fluoro-3-piperazin-1-ylphenyl)-5-methyl-1,3,4-oxadiazole (PubChem CID 59854814) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 2-(4-fluoro-3-piperazin-1-ylphenyl)-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-fluoro-3-piperazin-1-ylphenyl)-5-methyl-1,3,4-oxadiazole
PubChem CID59854814
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name2-(4-fluoro-3-piperazin-1-ylphenyl)-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2ccc(F)c(N3CCNCC3)c2)o1
InChIInChI=1S/C13H15FN4O/c1-9-16-17-13(19-9)10-2-3-11(14)12(8-10)18-6-4-15-5-7-18/h2-3,8,15H,4-7H2,1H3
InChIKeyLNLFLVYNCOXINO-UHFFFAOYSA-N
XLogP1.59
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-piperazin-1-ylphenyl)-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-(4-fluoro-3-piperazin-1-ylphenyl)-5-methyl-1,3,4-oxadiazole (CID 59854814) is 2-(4-fluoro-3-piperazin-1-ylphenyl)-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-fluoro-3-piperazin-1-ylphenyl)-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-fluoro-3-piperazin-1-ylphenyl)-5-methyl-1,3,4-oxadiazole is Cc1nnc(-c2ccc(F)c(N3CCNCC3)c2)o1.
What is the InChIKey of 2-(4-fluoro-3-piperazin-1-ylphenyl)-5-methyl-1,3,4-oxadiazole?
The InChIKey is LNLFLVYNCOXINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-9-16-17-13(19-9)10-2-3-11(14)12(8-10)18-6-4-15-5-7-18/h2-3,8,15H,4-7H2,1H3.
What are the key properties of 2-(4-fluoro-3-piperazin-1-ylphenyl)-5-methyl-1,3,4-oxadiazole?
2-(4-fluoro-3-piperazin-1-ylphenyl)-5-methyl-1,3,4-oxadiazole has a molecular weight of 262.29 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-piperazin-1-ylphenyl)-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 59854814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).