1-[5-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-cyclobutyloxyethanamine

C13H15ClN4O2 — CID 104635052

IUPAC1-[5-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-cyclobutyloxyethanamine
SMILESNC(COC1CCC1)c1noc(-c2ccc(Cl)cn2)n1
InChIInChI=1S/C13H15ClN4O2/c14-8-4-5-11(16-6-8)13-17-12(18-20-13)10(15)7-19-9-2-1-3-9/h4-6,9-10H,1-3,7,15H2
InChIKeyXDRKBPZPTUBBJB-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.35
Rot. Bonds5

About 1-[5-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-cyclobutyloxyethanamine

1-[5-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-cyclobutyloxyethanamine (PubChem CID 104635052) has the molecular formula C13H15ClN4O2 and a molecular weight of 294.74 g/mol. Its IUPAC name is 1-[5-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-cyclobutyloxyethanamine.

Molecular Properties

Compound Name1-[5-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-cyclobutyloxyethanamine
PubChem CID104635052
Molecular FormulaC13H15ClN4O2
Molecular Weight294.74 g/mol
Exact Mass294.09
IUPAC Name1-[5-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-cyclobutyloxyethanamine
SMILESNC(COC1CCC1)c1noc(-c2ccc(Cl)cn2)n1
InChIInChI=1S/C13H15ClN4O2/c14-8-4-5-11(16-6-8)13-17-12(18-20-13)10(15)7-19-9-2-1-3-9/h4-6,9-10H,1-3,7,15H2
InChIKeyXDRKBPZPTUBBJB-UHFFFAOYSA-N
XLogP2.35
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-(5-chloro-2-pyridinyl)-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

1-[5-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-cyclobutyloxyethanamine
CID 107992820
2-cyclobutyloxy-1-[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 107940736
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
2-cyclobutyloxy-1-[5-(4-methoxythiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104634931
2-cyclobutyloxy-1-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104634860
2-ethoxy-1-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104639551
2-cyclobutyloxy-1-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104634831
2-amino-2-[5-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633231
2-amino-2-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633256
1-[5-(3-bromo-5-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 107940732

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-cyclobutyloxyethanamine?
The IUPAC name of 1-[5-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-cyclobutyloxyethanamine (CID 104635052) is 1-[5-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-cyclobutyloxyethanamine.
What is the SMILES notation for 1-[5-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-cyclobutyloxyethanamine?
The canonical SMILES for 1-[5-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-cyclobutyloxyethanamine is NC(COC1CCC1)c1noc(-c2ccc(Cl)cn2)n1.
What is the InChIKey of 1-[5-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-cyclobutyloxyethanamine?
The InChIKey is XDRKBPZPTUBBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2/c14-8-4-5-11(16-6-8)13-17-12(18-20-13)10(15)7-19-9-2-1-3-9/h4-6,9-10H,1-3,7,15H2.
What are the key properties of 1-[5-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-cyclobutyloxyethanamine?
1-[5-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-cyclobutyloxyethanamine has a molecular weight of 294.74 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-cyclobutyloxyethanamine is sourced from PubChem (CID 104635052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).