3-butyl-5-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole

C22H28N4O — CID 55534209

IUPAC3-butyl-5-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCCCCc1noc(CN2CCN(Cc3cccc4ccccc34)CC2)n1
InChIInChI=1S/C22H28N4O/c1-2-3-11-21-23-22(27-24-21)17-26-14-12-25(13-15-26)16-19-9-6-8-18-7-4-5-10-20(18)19/h4-10H,2-3,11-17H2,1H3
InChIKeyJEQAOFKIIICDKI-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.88
Rot. Bonds7

About 3-butyl-5-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole

3-butyl-5-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 55534209) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 3-butyl-5-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-butyl-5-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID55534209
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name3-butyl-5-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCCCCc1noc(CN2CCN(Cc3cccc4ccccc34)CC2)n1
InChIInChI=1S/C22H28N4O/c1-2-3-11-21-23-22(27-24-21)17-26-14-12-25(13-15-26)16-19-9-6-8-18-7-4-5-10-20(18)19/h4-10H,2-3,11-17H2,1H3
InChIKeyJEQAOFKIIICDKI-UHFFFAOYSA-N
XLogP3.88
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 9047136
2-[4-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol
CID 47020572
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
3-ethyl-5-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 56811286
1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol
CID 60722318
3-butyl-5-[(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 78848866
4-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethylpiperazine-1-carboxamide
CID 86919634
(3R)-1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol
CID 112733993
5-[(4-octylpiperazin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole
CID 155566908
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one
CID 60601295
N-butyl-4-(naphthalen-1-ylmethyl)piperazine-1-carboxamide
CID 6468013
1-[1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63267588

Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-butyl-5-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole (CID 55534209) is 3-butyl-5-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-butyl-5-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-butyl-5-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole is CCCCc1noc(CN2CCN(Cc3cccc4ccccc34)CC2)n1.
What is the InChIKey of 3-butyl-5-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is JEQAOFKIIICDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-2-3-11-21-23-22(27-24-21)17-26-14-12-25(13-15-26)16-19-9-6-8-18-7-4-5-10-20(18)19/h4-10H,2-3,11-17H2,1H3.
What are the key properties of 3-butyl-5-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
3-butyl-5-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 364.49 g/mol, XLogP of 3.88, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 55534209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).