1-[5-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-cyclobutyloxyethanamine

C14H15BrClN3O2 — CID 107992820

IUPAC1-[5-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-cyclobutyloxyethanamine
SMILESNC(COC1CCC1)c1noc(-c2ccc(Cl)c(Br)c2)n1
InChIInChI=1S/C14H15BrClN3O2/c15-10-6-8(4-5-11(10)16)14-18-13(19-21-14)12(17)7-20-9-2-1-3-9/h4-6,9,12H,1-3,7,17H2
InChIKeyRERLVOGPXUXXJD-UHFFFAOYSA-N
MW372.65 g/mol
LogP3.72
Rot. Bonds5

About 1-[5-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-cyclobutyloxyethanamine

1-[5-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-cyclobutyloxyethanamine (PubChem CID 107992820) has the molecular formula C14H15BrClN3O2 and a molecular weight of 372.65 g/mol. Its IUPAC name is 1-[5-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-cyclobutyloxyethanamine.

Molecular Properties

Compound Name1-[5-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-cyclobutyloxyethanamine
PubChem CID107992820
Molecular FormulaC14H15BrClN3O2
Molecular Weight372.65 g/mol
Exact Mass371.00
IUPAC Name1-[5-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-cyclobutyloxyethanamine
SMILESNC(COC1CCC1)c1noc(-c2ccc(Cl)c(Br)c2)n1
InChIInChI=1S/C14H15BrClN3O2/c15-10-6-8(4-5-11(10)16)14-18-13(19-21-14)12(17)7-20-9-2-1-3-9/h4-6,9,12H,1-3,7,17H2
InChIKeyRERLVOGPXUXXJD-UHFFFAOYSA-N
XLogP3.72
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.65
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-cyclobutyloxyethanamine 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

2-cyclobutyloxy-1-[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 107940736
1-[5-(5-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-2-cyclobutyloxyethanamine
CID 107965435
1-[5-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-cyclobutyloxyethanamine
CID 104635052
[5-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine
CID 107992711
1-[5-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 107992698
1-[5-(5-bromo-4-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2-cyclobutyloxyethanamine
CID 104634894
2-cyclobutyloxy-1-[5-(2-methylsulfanylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104634959
2-cyclobutyloxy-1-[5-(4-methoxythiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104634931
1-[5-(4-chloro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634547
2-cyclobutyloxy-1-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104634860
2-cyclobutyloxy-1-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104634831
1-[5-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 61323783

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-cyclobutyloxyethanamine?
The IUPAC name of 1-[5-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-cyclobutyloxyethanamine (CID 107992820) is 1-[5-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-cyclobutyloxyethanamine.
What is the SMILES notation for 1-[5-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-cyclobutyloxyethanamine?
The canonical SMILES for 1-[5-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-cyclobutyloxyethanamine is NC(COC1CCC1)c1noc(-c2ccc(Cl)c(Br)c2)n1.
What is the InChIKey of 1-[5-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-cyclobutyloxyethanamine?
The InChIKey is RERLVOGPXUXXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClN3O2/c15-10-6-8(4-5-11(10)16)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 1-[5-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-cyclobutyloxyethanamine?
1-[5-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-cyclobutyloxyethanamine has a molecular weight of 372.65 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-cyclobutyloxyethanamine is sourced from PubChem (CID 107992820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).