2-(phenoxymethyl)-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole

C14H18N4O2 — CID 94283229

IUPAC2-(phenoxymethyl)-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole
SMILESc1ccc(OCc2nnc(CN3CCNCC3)o2)cc1
InChIInChI=1S/C14H18N4O2/c1-2-4-12(5-3-1)19-11-14-17-16-13(20-14)10-18-8-6-15-7-9-18/h1-5,15H,6-11H2
InChIKeyLLFJGRPUTMZOOF-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.05
Rot. Bonds5

About 2-(phenoxymethyl)-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole

2-(phenoxymethyl)-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole (PubChem CID 94283229) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(phenoxymethyl)-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(phenoxymethyl)-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole
PubChem CID94283229
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-(phenoxymethyl)-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole
SMILESc1ccc(OCc2nnc(CN3CCNCC3)o2)cc1
InChIInChI=1S/C14H18N4O2/c1-2-4-12(5-3-1)19-11-14-17-16-13(20-14)10-18-8-6-15-7-9-18/h1-5,15H,6-11H2
InChIKeyLLFJGRPUTMZOOF-UHFFFAOYSA-N
XLogP1.05
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-({[5-(Phenoxymethyl)-1,3,4-oxadiazol-2-yl]thio}acetyl)morpholine
CID 866876
1-(4-Methyl-piperazin-1-yl)-2-(5-phenoxymethyl-[1,3,4]oxadiazol-2-ylsulfanyl)-ethanone
CID 3160431
4-{2-[5-(4-Fluoro-phenoxymethyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-ethyl}-morpholine
CID 862318
2-[[4-(4-Fluorophenoxy)piperidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
CID 72012542
2-(2,4-difluorophenoxy)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 90649370
4-[2-[[5-[(4-Fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholin-4-ium
CID 7119990
[5-[(2-Fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 28295000
[5-[(3-Fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 28295002
[5-[(4-Fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 28295004
[5-[(2,4-Difluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 28295086
[5-[(3,4-Difluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 28295088
2-[(2-Fluorophenoxy)methyl]-5-piperidin-4-yl-1,3,4-oxadiazole
CID 28301841

Frequently Asked Questions

What is the IUPAC name of 2-(phenoxymethyl)-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(phenoxymethyl)-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole (CID 94283229) is 2-(phenoxymethyl)-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(phenoxymethyl)-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(phenoxymethyl)-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole is c1ccc(OCc2nnc(CN3CCNCC3)o2)cc1.
What is the InChIKey of 2-(phenoxymethyl)-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole?
The InChIKey is LLFJGRPUTMZOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-2-4-12(5-3-1)19-11-14-17-16-13(20-14)10-18-8-6-15-7-9-18/h1-5,15H,6-11H2.
What are the key properties of 2-(phenoxymethyl)-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole?
2-(phenoxymethyl)-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole has a molecular weight of 274.32 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenoxymethyl)-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 94283229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).