N-[[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine

C11H11ClFN3O — CID 62341977

IUPACN-[[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
SMILESCCNCc1noc(-c2c(F)cccc2Cl)n1
InChIInChI=1S/C11H11ClFN3O/c1-2-14-6-9-15-11(17-16-9)10-7(12)4-3-5-8(10)13/h3-5,14H,2,6H2,1H3
InChIKeyWZIKDIIQCVSMRF-UHFFFAOYSA-N
MW255.68 g/mol
LogP2.64
Rot. Bonds4

About N-[[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine

N-[[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine (PubChem CID 62341977) has the molecular formula C11H11ClFN3O and a molecular weight of 255.68 g/mol. Its IUPAC name is N-[[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
PubChem CID62341977
Molecular FormulaC11H11ClFN3O
Molecular Weight255.68 g/mol
Exact Mass255.06
IUPAC NameN-[[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
SMILESCCNCc1noc(-c2c(F)cccc2Cl)n1
InChIInChI=1S/C11H11ClFN3O/c1-2-14-6-9-15-11(17-16-9)10-7(12)4-3-5-8(10)13/h3-5,14H,2,6H2,1H3
InChIKeyWZIKDIIQCVSMRF-UHFFFAOYSA-N
XLogP2.64
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.68
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine with MolForge

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Related Compounds

[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61324775
N-[[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylaniline
CID 166314299
N-[[5-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 62342950
N-[[5-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 104879940
N-[[3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 63022131
[5-(2,6-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660381
2-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-fluorophenol
CID 136670660
N-[[5-(4-bromo-2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 62344158
2-(3-butyl-1,2,4-oxadiazol-5-yl)-3-chloroaniline
CID 79405198
N-[[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 62342352
N-[[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 62342943
3-[(2-chlorophenoxy)methyl]-5-(2,6-difluorophenyl)-1,2,4-oxadiazole
CID 42692478

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine (CID 62341977) is N-[[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine is CCNCc1noc(-c2c(F)cccc2Cl)n1.
What is the InChIKey of N-[[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine?
The InChIKey is WZIKDIIQCVSMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3O/c1-2-14-6-9-15-11(17-16-9)10-7(12)4-3-5-8(10)13/h3-5,14H,2,6H2,1H3.
What are the key properties of N-[[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine?
N-[[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine has a molecular weight of 255.68 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 62341977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).