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

C17H18N4O — CID 42879628

IUPAC5-naphthalen-2-yl-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
SMILESc1ccc2cc(-c3nc(CN4CCNCC4)no3)ccc2c1
InChIInChI=1S/C17H18N4O/c1-2-4-14-11-15(6-5-13(14)3-1)17-19-16(20-22-17)12-21-9-7-18-8-10-21/h1-6,11,18H,7-10,12H2
InChIKeyGZYDWGXQSGBPDZ-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.30
Rot. Bonds3

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

5-naphthalen-2-yl-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole (PubChem CID 42879628) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 5-naphthalen-2-yl-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-naphthalen-2-yl-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
PubChem CID42879628
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name5-naphthalen-2-yl-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
SMILESc1ccc2cc(-c3nc(CN4CCNCC4)no3)ccc2c1
InChIInChI=1S/C17H18N4O/c1-2-4-14-11-15(6-5-13(14)3-1)17-19-16(20-22-17)12-21-9-7-18-8-10-21/h1-6,11,18H,7-10,12H2
InChIKeyGZYDWGXQSGBPDZ-UHFFFAOYSA-N
XLogP2.30
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-2-yl-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-naphthalen-2-yl-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole (CID 42879628) is 5-naphthalen-2-yl-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-naphthalen-2-yl-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-naphthalen-2-yl-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole is c1ccc2cc(-c3nc(CN4CCNCC4)no3)ccc2c1.
What is the InChIKey of 5-naphthalen-2-yl-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is GZYDWGXQSGBPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-2-4-14-11-15(6-5-13(14)3-1)17-19-16(20-22-17)12-21-9-7-18-8-10-21/h1-6,11,18H,7-10,12H2.
What are the key properties of 5-naphthalen-2-yl-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
5-naphthalen-2-yl-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 294.36 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-2-yl-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 42879628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).