5-(2-bicyclo[2.2.1]heptanyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole

C14H22N4O — CID 63342879

IUPAC5-(2-bicyclo[2.2.1]heptanyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
SMILESC1CN(Cc2noc(C3CC4CCC3C4)n2)CCN1
InChIInChI=1S/C14H22N4O/c1-2-11-7-10(1)8-12(11)14-16-13(17-19-14)9-18-5-3-15-4-6-18/h10-12,15H,1-9H2
InChIKeyBRGXIFGZFAACHJ-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.38
Rot. Bonds3

About 5-(2-bicyclo[2.2.1]heptanyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole

5-(2-bicyclo[2.2.1]heptanyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole (PubChem CID 63342879) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 5-(2-bicyclo[2.2.1]heptanyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-bicyclo[2.2.1]heptanyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
PubChem CID63342879
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name5-(2-bicyclo[2.2.1]heptanyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
SMILESC1CN(Cc2noc(C3CC4CCC3C4)n2)CCN1
InChIInChI=1S/C14H22N4O/c1-2-11-7-10(1)8-12(11)14-16-13(17-19-14)9-18-5-3-15-4-6-18/h10-12,15H,1-9H2
InChIKeyBRGXIFGZFAACHJ-UHFFFAOYSA-N
XLogP1.38
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1,4-dioxan-2-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 63342741
1-[5-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 55101607
5-(2-bicyclo[2.2.1]heptanyl)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1,2,4-oxadiazole
CID 119035943
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethanone
CID 98762170
2-[5-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103972015
1-[5-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine
CID 104636104
5-(difluoromethyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 104632652
5-pentan-3-yl-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 63342267
3-(1,4-diazepan-1-ylmethyl)-5-methyl-1,2,4-oxadiazole;dihydrochloride
CID 54592664
5-(2-methylbutan-2-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 55200842
5-(3-methylbutyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 63342313
3-(piperazin-1-ylmethyl)-5-(1,1,2,2-tetrafluoroethyl)-1,2,4-oxadiazole
CID 104632872

Frequently Asked Questions

What is the IUPAC name of 5-(2-bicyclo[2.2.1]heptanyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-bicyclo[2.2.1]heptanyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole (CID 63342879) is 5-(2-bicyclo[2.2.1]heptanyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-bicyclo[2.2.1]heptanyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-bicyclo[2.2.1]heptanyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole is C1CN(Cc2noc(C3CC4CCC3C4)n2)CCN1.
What is the InChIKey of 5-(2-bicyclo[2.2.1]heptanyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is BRGXIFGZFAACHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-2-11-7-10(1)8-12(11)14-16-13(17-19-14)9-18-5-3-15-4-6-18/h10-12,15H,1-9H2.
What are the key properties of 5-(2-bicyclo[2.2.1]heptanyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
5-(2-bicyclo[2.2.1]heptanyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 262.36 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bicyclo[2.2.1]heptanyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 63342879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).