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

C9H7ClFN3O — CID 23008074

IUPAC[3-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(-c2c(F)cccc2Cl)no1
InChIInChI=1S/C9H7ClFN3O/c10-5-2-1-3-6(11)8(5)9-13-7(4-12)15-14-9/h1-3H,4,12H2
InChIKeyQBKVFPGEXAIBLY-UHFFFAOYSA-N
MW227.63 g/mol
LogP1.99
Rot. Bonds2

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

[3-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 23008074) has the molecular formula C9H7ClFN3O and a molecular weight of 227.63 g/mol. Its IUPAC name is [3-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID23008074
Molecular FormulaC9H7ClFN3O
Molecular Weight227.63 g/mol
Exact Mass227.03
IUPAC Name[3-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(-c2c(F)cccc2Cl)no1
InChIInChI=1S/C9H7ClFN3O/c10-5-2-1-3-6(11)8(5)9-13-7(4-12)15-14-9/h1-3H,4,12H2
InChIKeyQBKVFPGEXAIBLY-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(2-chloro-3-fluoro-6-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117356000
[3-(6-chloro-2,3-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117348084
[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61324775
[3-(3-chloro-6-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117397354
5-(chloromethyl)-3-(2,6-difluorophenyl)-1,2,4-oxadiazole
CID 97057636
[3-(2,3,4,5,6-pentafluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 83403632
[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 23008067
[3-(2,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 71829645
[3-(3-fluoro-2-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117430690
2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-chloro-6-fluorophenol
CID 137011460
[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 82473258
[3-(2,5-difluoro-3,6-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117350136

Frequently Asked Questions

What is the IUPAC name of [3-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine (CID 23008074) is [3-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine is NCc1nc(-c2c(F)cccc2Cl)no1.
What is the InChIKey of [3-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is QBKVFPGEXAIBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFN3O/c10-5-2-1-3-6(11)8(5)9-13-7(4-12)15-14-9/h1-3H,4,12H2.
What are the key properties of [3-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine?
[3-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-5-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 [3-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 23008074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).