cyclobutyl-[4-[(5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone

C22H24N4O2 — CID 42692005

IUPACcyclobutyl-[4-[(5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCN(Cc2noc(-c3cccc4ccccc34)n2)CC1
InChIInChI=1S/C22H24N4O2/c27-22(17-7-3-8-17)26-13-11-25(12-14-26)15-20-23-21(28-24-20)19-10-4-6-16-5-1-2-9-18(16)19/h1-2,4-6,9-10,17H,3,7-8,11-15H2
InChIKeyPYHYLQUPEWUUBN-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.33
Rot. Bonds4

About cyclobutyl-[4-[(5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone

cyclobutyl-[4-[(5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone (PubChem CID 42692005) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is cyclobutyl-[4-[(5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-[(5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone
PubChem CID42692005
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Namecyclobutyl-[4-[(5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCN(Cc2noc(-c3cccc4ccccc34)n2)CC1
InChIInChI=1S/C22H24N4O2/c27-22(17-7-3-8-17)26-13-11-25(12-14-26)15-20-23-21(28-24-20)19-10-4-6-16-5-1-2-9-18(16)19/h1-2,4-6,9-10,17H,3,7-8,11-15H2
InChIKeyPYHYLQUPEWUUBN-UHFFFAOYSA-N
XLogP3.33
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze cyclobutyl-[4-[(5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

1-[4-[(5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 42692012
cyclobutyl-[4-(naphthalen-1-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 171329068
1-[4-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]butan-1-one
CID 42879655
[4-(1,2-benzoxazol-3-ylmethyl)piperazin-1-yl]-cyclohexylmethanone
CID 20972229
[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 4665209
(3-aminocyclohexyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 119834669
1-[4-[4-(naphthalen-1-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 9397930
1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidine-3,4-diol
CID 106672141
cyclobutyl-[4-(isoquinolin-5-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 56707165
(5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 61324776
[4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]-cyclopentylmethanone
CID 36880399
cyclobutyl-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 113074078

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-[(5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-[(5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone (CID 42692005) is cyclobutyl-[4-[(5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-[(5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-[(5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone is O=C(C1CCC1)N1CCN(Cc2noc(-c3cccc4ccccc34)n2)CC1.
What is the InChIKey of cyclobutyl-[4-[(5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is PYHYLQUPEWUUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c27-22(17-7-3-8-17)26-13-11-25(12-14-26)15-20-23-21(28-24-20)19-10-4-6-16-5-1-2-9-18(16)19/h1-2,4-6,9-10,17H,3,7-8,11-15H2.
What are the key properties of cyclobutyl-[4-[(5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone?
cyclobutyl-[4-[(5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 376.46 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-[(5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 42692005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).