3-ethoxy-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclobutan-1-amine;hydrochloride

C17H23ClFN3O2 — CID 120837149

IUPAC3-ethoxy-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclobutan-1-amine;hydrochloride
SMILESCCOC1CC(N)(c2nc(-c3ccc(C)c(F)c3)no2)C1(C)C.Cl
InChIInChI=1S/C17H22FN3O2.ClH/c1-5-22-13-9-17(19,16(13,3)4)15-20-14(21-23-15)11-7-6-10(2)12(18)8-11;/h6-8,13H,5,9,19H2,1-4H3;1H
InChIKeyFVWFOWWISKAEPF-UHFFFAOYSA-N
MW355.84 g/mol
LogP3.59
Rot. Bonds4

About 3-ethoxy-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclobutan-1-amine;hydrochloride

3-ethoxy-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclobutan-1-amine;hydrochloride (PubChem CID 120837149) has the molecular formula C17H23ClFN3O2 and a molecular weight of 355.84 g/mol. Its IUPAC name is 3-ethoxy-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-ethoxy-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclobutan-1-amine;hydrochloride
PubChem CID120837149
Molecular FormulaC17H23ClFN3O2
Molecular Weight355.84 g/mol
Exact Mass355.15
IUPAC Name3-ethoxy-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclobutan-1-amine;hydrochloride
SMILESCCOC1CC(N)(c2nc(-c3ccc(C)c(F)c3)no2)C1(C)C.Cl
InChIInChI=1S/C17H22FN3O2.ClH/c1-5-22-13-9-17(19,16(13,3)4)15-20-14(21-23-15)11-7-6-10(2)12(18)8-11;/h6-8,13H,5,9,19H2,1-4H3;1H
InChIKeyFVWFOWWISKAEPF-UHFFFAOYSA-N
XLogP3.59
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.84
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-ethoxy-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclobutan-1-amine;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclobutan-1-amine;hydrochloride?
The IUPAC name of 3-ethoxy-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclobutan-1-amine;hydrochloride (CID 120837149) is 3-ethoxy-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 3-ethoxy-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclobutan-1-amine;hydrochloride?
The canonical SMILES for 3-ethoxy-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclobutan-1-amine;hydrochloride is CCOC1CC(N)(c2nc(-c3ccc(C)c(F)c3)no2)C1(C)C.Cl.
What is the InChIKey of 3-ethoxy-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclobutan-1-amine;hydrochloride?
The InChIKey is FVWFOWWISKAEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2.ClH/c1-5-22-13-9-17(19,16(13,3)4)15-20-14(21-23-15)11-7-6-10(2)12(18)8-11;/h6-8,13H,5,9,19H2,1-4H3;1H.
What are the key properties of 3-ethoxy-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclobutan-1-amine;hydrochloride?
3-ethoxy-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclobutan-1-amine;hydrochloride has a molecular weight of 355.84 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 120837149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).