[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-(2,6-dichlorophenyl)methanone

C15H17Cl2N5O2 — CID 120751325

IUPAC[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-(2,6-dichlorophenyl)methanone
SMILESNCc1nc(CN2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)no1
InChIInChI=1S/C15H17Cl2N5O2/c16-10-2-1-3-11(17)14(10)15(23)22-6-4-21(5-7-22)9-12-19-13(8-18)24-20-12/h1-3H,4-9,18H2
InChIKeySLABSXLYKFJUIQ-UHFFFAOYSA-N
MW370.24 g/mol
LogP1.79
Rot. Bonds4

About [4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-(2,6-dichlorophenyl)methanone

[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-(2,6-dichlorophenyl)methanone (PubChem CID 120751325) has the molecular formula C15H17Cl2N5O2 and a molecular weight of 370.24 g/mol. Its IUPAC name is [4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-(2,6-dichlorophenyl)methanone.

Molecular Properties

Compound Name[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-(2,6-dichlorophenyl)methanone
PubChem CID120751325
Molecular FormulaC15H17Cl2N5O2
Molecular Weight370.24 g/mol
Exact Mass369.08
IUPAC Name[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-(2,6-dichlorophenyl)methanone
SMILESNCc1nc(CN2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)no1
InChIInChI=1S/C15H17Cl2N5O2/c16-10-2-1-3-11(17)14(10)15(23)22-6-4-21(5-7-22)9-12-19-13(8-18)24-20-12/h1-3H,4-9,18H2
InChIKeySLABSXLYKFJUIQ-UHFFFAOYSA-N
XLogP1.79
TPSA88.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.24
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-(2,6-dichlorophenyl)methanone with MolForge

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Related Compounds

[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1,4-diazepan-1-yl]-(3-chlorophenyl)methanone;hydrochloride
CID 120751384
[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 120750643
[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1,4-diazepan-1-yl]-(4-chlorophenyl)methanone;hydrochloride
CID 120751382
1-[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-2-(4-chlorophenyl)ethanone;hydrochloride
CID 120750981
[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 120751645
[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-(4-nitrophenyl)methanone
CID 120752137
1-[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one;hydrochloride
CID 120751079
2-[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-1-(azepan-1-yl)ethanone
CID 120752571
[3-[[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752661
[3-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752523
[3-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752482
[3-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 120750498

Frequently Asked Questions

What is the IUPAC name of [4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-(2,6-dichlorophenyl)methanone?
The IUPAC name of [4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-(2,6-dichlorophenyl)methanone (CID 120751325) is [4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-(2,6-dichlorophenyl)methanone.
What is the SMILES notation for [4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-(2,6-dichlorophenyl)methanone?
The canonical SMILES for [4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-(2,6-dichlorophenyl)methanone is NCc1nc(CN2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)no1.
What is the InChIKey of [4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-(2,6-dichlorophenyl)methanone?
The InChIKey is SLABSXLYKFJUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N5O2/c16-10-2-1-3-11(17)14(10)15(23)22-6-4-21(5-7-22)9-12-19-13(8-18)24-20-12/h1-3H,4-9,18H2.
What are the key properties of [4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-(2,6-dichlorophenyl)methanone?
[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-(2,6-dichlorophenyl)methanone has a molecular weight of 370.24 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-(2,6-dichlorophenyl)methanone is sourced from PubChem (CID 120751325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).