2-[4-(3-chloro-4-fluorophenyl)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride

C17H16Cl2FN3O — CID 69207953

IUPAC2-[4-(3-chloro-4-fluorophenyl)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride
SMILESCc1noc(C(N)Cc2ccc(-c3ccc(F)c(Cl)c3)cc2)n1.Cl
InChIInChI=1S/C17H15ClFN3O.ClH/c1-10-21-17(23-22-10)16(20)8-11-2-4-12(5-3-11)13-6-7-15(19)14(18)9-13;/h2-7,9,16H,8,20H2,1H3;1H
InChIKeyCLCNURVCPAFKHK-UHFFFAOYSA-N
MW368.24 g/mol
LogP4.50
Rot. Bonds4

About 2-[4-(3-chloro-4-fluorophenyl)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride

2-[4-(3-chloro-4-fluorophenyl)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride (PubChem CID 69207953) has the molecular formula C17H16Cl2FN3O and a molecular weight of 368.24 g/mol. Its IUPAC name is 2-[4-(3-chloro-4-fluorophenyl)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[4-(3-chloro-4-fluorophenyl)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride
PubChem CID69207953
Molecular FormulaC17H16Cl2FN3O
Molecular Weight368.24 g/mol
Exact Mass367.07
IUPAC Name2-[4-(3-chloro-4-fluorophenyl)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride
SMILESCc1noc(C(N)Cc2ccc(-c3ccc(F)c(Cl)c3)cc2)n1.Cl
InChIInChI=1S/C17H15ClFN3O.ClH/c1-10-21-17(23-22-10)16(20)8-11-2-4-12(5-3-11)13-6-7-15(19)14(18)9-13;/h2-7,9,16H,8,20H2,1H3;1H
InChIKeyCLCNURVCPAFKHK-UHFFFAOYSA-N
XLogP4.50
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.24
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(3-chloro-4-fluorophenyl)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride 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

(1R)-2-[4-(3-chlorophenyl)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 69204753
2-[4-(3-fluoro-4-phenylmethoxyphenyl)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride
CID 69207145
(1R)-2-[4-(3-fluoro-4-phenylmethoxyphenyl)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 69206362
1-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 63093086
N-[(1R)-2-[4-(3-chloro-4-fluorophenyl)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-hydroxy-5-(4-nitrophenyl)benzamide
CID 11467266
2-(3-chloro-4-fluorophenyl)-1-(4-methylphenyl)ethanamine
CID 103039768
1-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 63092751
1-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 63092753
2-(3-chloro-4-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanamine
CID 103043039
N-[(1R)-2-[4-(3-chloro-4-fluorophenoxy)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-hydroxy-5-[4-(trifluoromethyl)phenyl]benzamide
CID 11444892
N-[(1R)-2-[4-(3-chloro-4-fluorophenoxy)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methoxy-5-[4-(trifluoromethyl)phenyl]benzamide
CID 91209144
2-[4-(3-chloro-4-fluorophenyl)phenyl]ethanamine
CID 68867415

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chloro-4-fluorophenyl)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride?
The IUPAC name of 2-[4-(3-chloro-4-fluorophenyl)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride (CID 69207953) is 2-[4-(3-chloro-4-fluorophenyl)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-[4-(3-chloro-4-fluorophenyl)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-[4-(3-chloro-4-fluorophenyl)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride is Cc1noc(C(N)Cc2ccc(-c3ccc(F)c(Cl)c3)cc2)n1.Cl.
What is the InChIKey of 2-[4-(3-chloro-4-fluorophenyl)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride?
The InChIKey is CLCNURVCPAFKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3O.ClH/c1-10-21-17(23-22-10)16(20)8-11-2-4-12(5-3-11)13-6-7-15(19)14(18)9-13;/h2-7,9,16H,8,20H2,1H3;1H.
What are the key properties of 2-[4-(3-chloro-4-fluorophenyl)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride?
2-[4-(3-chloro-4-fluorophenyl)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride has a molecular weight of 368.24 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chloro-4-fluorophenyl)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride is sourced from PubChem (CID 69207953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).