[1-[[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine

C14H15BrFN3O — CID 81162099

IUPAC[1-[[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine
SMILESNCC1(Cc2nc(-c3cc(F)cc(Br)c3)no2)CCC1
InChIInChI=1S/C14H15BrFN3O/c15-10-4-9(5-11(16)6-10)13-18-12(20-19-13)7-14(8-17)2-1-3-14/h4-6H,1-3,7-8,17H2
InChIKeyOAMSHZKYDQILCM-UHFFFAOYSA-N
MW340.20 g/mol
LogP3.31
Rot. Bonds4

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

[1-[[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine (PubChem CID 81162099) has the molecular formula C14H15BrFN3O and a molecular weight of 340.20 g/mol. Its IUPAC name is [1-[[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine
PubChem CID81162099
Molecular FormulaC14H15BrFN3O
Molecular Weight340.20 g/mol
Exact Mass339.04
IUPAC Name[1-[[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine
SMILESNCC1(Cc2nc(-c3cc(F)cc(Br)c3)no2)CCC1
InChIInChI=1S/C14H15BrFN3O/c15-10-4-9(5-11(16)6-10)13-18-12(20-19-13)7-14(8-17)2-1-3-14/h4-6H,1-3,7-8,17H2
InChIKeyOAMSHZKYDQILCM-UHFFFAOYSA-N
XLogP3.31
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.20
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]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

[1-[[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine
CID 107280261
[1-[[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine
CID 81161823
[1-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine
CID 120838338
[1-[[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine
CID 103083398
3-(3-bromo-5-fluorophenyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 79608304
2-[[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 81072768
2-[[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 66423409
1-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-ol
CID 66423316
3-(3-bromo-5-fluorophenyl)-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 66425591
1-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-amine
CID 66424707
[1-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexyl]methanamine;hydrochloride
CID 120836940
3-(3-bromo-5-fluorophenyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 104597623

Frequently Asked Questions

What is the IUPAC name of [1-[[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine?
The IUPAC name of [1-[[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine (CID 81162099) is [1-[[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine is NCC1(Cc2nc(-c3cc(F)cc(Br)c3)no2)CCC1.
What is the InChIKey of [1-[[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine?
The InChIKey is OAMSHZKYDQILCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3O/c15-10-4-9(5-11(16)6-10)13-18-12(20-19-13)7-14(8-17)2-1-3-14/h4-6H,1-3,7-8,17H2.
What are the key properties of [1-[[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine?
[1-[[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine has a molecular weight of 340.20 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine is sourced from PubChem (CID 81162099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).