2-cyclobutyloxy-1-[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine

C14H15Br2N3O2 — CID 107940736

IUPAC2-cyclobutyloxy-1-[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESNC(COC1CCC1)c1noc(-c2ccc(Br)cc2Br)n1
InChIInChI=1S/C14H15Br2N3O2/c15-8-4-5-10(11(16)6-8)14-18-13(19-21-14)12(17)7-20-9-2-1-3-9/h4-6,9,12H,1-3,7,17H2
InChIKeyCFGBAIZIANOFLO-UHFFFAOYSA-N
MW417.10 g/mol
LogP3.83
Rot. Bonds5

About 2-cyclobutyloxy-1-[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine

2-cyclobutyloxy-1-[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 107940736) has the molecular formula C14H15Br2N3O2 and a molecular weight of 417.10 g/mol. Its IUPAC name is 2-cyclobutyloxy-1-[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-cyclobutyloxy-1-[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID107940736
Molecular FormulaC14H15Br2N3O2
Molecular Weight417.10 g/mol
Exact Mass414.95
IUPAC Name2-cyclobutyloxy-1-[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESNC(COC1CCC1)c1noc(-c2ccc(Br)cc2Br)n1
InChIInChI=1S/C14H15Br2N3O2/c15-8-4-5-10(11(16)6-8)14-18-13(19-21-14)12(17)7-20-9-2-1-3-9/h4-6,9,12H,1-3,7,17H2
InChIKeyCFGBAIZIANOFLO-UHFFFAOYSA-N
XLogP3.83
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.10
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-cyclobutyloxy-1-[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine 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-[5-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-cyclobutyloxyethanamine
CID 107992820
2-cyclobutyloxy-1-[5-(2-methylsulfanylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104634959
1-[5-(5-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-2-cyclobutyloxyethanamine
CID 107965435
1-[5-(5-bromo-4-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2-cyclobutyloxyethanamine
CID 104634894
1-[5-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-cyclobutyloxyethanamine
CID 104635052
2-cyclobutyloxy-1-[5-(4-methoxythiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104634931
1-[5-(2,5-dibromophenyl)-1,2,4-oxadiazol-3-yl]-2-ethoxyethanamine
CID 114375359
3-(1-chloroethyl)-5-(2,4-dibromophenyl)-1,2,4-oxadiazole
CID 107939307
1-[5-(4-bromo-2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634789
1-[5-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 104634361
2-cyclobutyloxy-1-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104634860
1-[5-(5-bromo-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634800

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyloxy-1-[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 2-cyclobutyloxy-1-[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 107940736) is 2-cyclobutyloxy-1-[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 2-cyclobutyloxy-1-[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 2-cyclobutyloxy-1-[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine is NC(COC1CCC1)c1noc(-c2ccc(Br)cc2Br)n1.
What is the InChIKey of 2-cyclobutyloxy-1-[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is CFGBAIZIANOFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2N3O2/c15-8-4-5-10(11(16)6-8)14-18-13(19-21-14)12(17)7-20-9-2-1-3-9/h4-6,9,12H,1-3,7,17H2.
What are the key properties of 2-cyclobutyloxy-1-[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine?
2-cyclobutyloxy-1-[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 417.10 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyloxy-1-[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 107940736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).