[5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine

C9H7ClFN3O — CID 61326218

IUPAC[5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESNCc1noc(-c2ccc(F)cc2Cl)n1
InChIInChI=1S/C9H7ClFN3O/c10-7-3-5(11)1-2-6(7)9-13-8(4-12)14-15-9/h1-3H,4,12H2
InChIKeyPEENUHRBCHMGNG-UHFFFAOYSA-N
MW227.63 g/mol
LogP1.99
Rot. Bonds2

About [5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine

[5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 61326218) has the molecular formula C9H7ClFN3O and a molecular weight of 227.63 g/mol. Its IUPAC name is [5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID61326218
Molecular FormulaC9H7ClFN3O
Molecular Weight227.63 g/mol
Exact Mass227.03
IUPAC Name[5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESNCc1noc(-c2ccc(F)cc2Cl)n1
InChIInChI=1S/C9H7ClFN3O/c10-7-3-5(11)1-2-6(7)9-13-8(4-12)14-15-9/h1-3H,4,12H2
InChIKeyPEENUHRBCHMGNG-UHFFFAOYSA-N
XLogP1.99
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.63
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[2-chloro-4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]methanamine
CID 169227755
1-[5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
CID 61325448
5-chloro-2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62945327
[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61324775
3-chloro-4-(3-propyl-1,2,4-oxadiazol-5-yl)aniline
CID 61398974
5-(2,4-dichlorophenyl)-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole
CID 42692313
[4-[3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
CID 66380141
5-chloro-3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazole
CID 62944891
[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 107940651
[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61323958
1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 55101679
[5-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]methanamine
CID 167972533

Frequently Asked Questions

What is the IUPAC name of [5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of [5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine (CID 61326218) is [5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for [5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for [5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine is NCc1noc(-c2ccc(F)cc2Cl)n1.
What is the InChIKey of [5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is PEENUHRBCHMGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFN3O/c10-7-3-5(11)1-2-6(7)9-13-8(4-12)14-15-9/h1-3H,4,12H2.
What are the key properties of [5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine?
[5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 227.63 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 61326218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).