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

C12H19N3O3 — CID 104634831

IUPAC2-cyclobutyloxy-1-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESNC(COC1CCC1)c1noc(C2CCOC2)n1
InChIInChI=1S/C12H19N3O3/c13-10(7-17-9-2-1-3-9)11-14-12(18-15-11)8-4-5-16-6-8/h8-10H,1-7,13H2
InChIKeyUGHKGGRDSHHZJT-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.14
Rot. Bonds5

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

2-cyclobutyloxy-1-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 104634831) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-cyclobutyloxy-1-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-cyclobutyloxy-1-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID104634831
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-cyclobutyloxy-1-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESNC(COC1CCC1)c1noc(C2CCOC2)n1
InChIInChI=1S/C12H19N3O3/c13-10(7-17-9-2-1-3-9)11-14-12(18-15-11)8-4-5-16-6-8/h8-10H,1-7,13H2
InChIKeyUGHKGGRDSHHZJT-UHFFFAOYSA-N
XLogP1.14
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclobutyloxy-1-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104634860
2-morpholin-4-yl-1-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104636221
2-methyl-1-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 63014392
[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61324587
1-[5-(5-bromo-4-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2-cyclobutyloxyethanamine
CID 104634894
1-[5-(5-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-2-cyclobutyloxyethanamine
CID 107965435
1-[5-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-cyclobutyloxyethanamine
CID 107992820
1-[5-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-cyclobutyloxyethanamine
CID 104635052
2-cyclobutyloxy-1-[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 107940736
1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 61326658
2-cyclobutyloxy-1-[5-(2-methylsulfanylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104634959
1-[5-(3-bicyclo[3.1.0]hexanyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine
CID 104633756

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyloxy-1-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 2-cyclobutyloxy-1-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 104634831) is 2-cyclobutyloxy-1-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 2-cyclobutyloxy-1-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 2-cyclobutyloxy-1-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine is NC(COC1CCC1)c1noc(C2CCOC2)n1.
What is the InChIKey of 2-cyclobutyloxy-1-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is UGHKGGRDSHHZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c13-10(7-17-9-2-1-3-9)11-14-12(18-15-11)8-4-5-16-6-8/h8-10H,1-7,13H2.
What are the key properties of 2-cyclobutyloxy-1-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
2-cyclobutyloxy-1-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 253.30 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyloxy-1-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 104634831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).