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

C10H17N3O3 — CID 104634860

IUPAC2-cyclobutyloxy-1-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCOCc1nc(C(N)COC2CCC2)no1
InChIInChI=1S/C10H17N3O3/c1-14-6-9-12-10(13-16-9)8(11)5-15-7-3-2-4-7/h7-8H,2-6,11H2,1H3
InChIKeyUGYJKZRSBYPQDJ-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.78
Rot. Bonds6

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

2-cyclobutyloxy-1-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 104634860) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-cyclobutyloxy-1-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-cyclobutyloxy-1-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID104634860
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name2-cyclobutyloxy-1-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCOCc1nc(C(N)COC2CCC2)no1
InChIInChI=1S/C10H17N3O3/c1-14-6-9-12-10(13-16-9)8(11)5-15-7-3-2-4-7/h7-8H,2-6,11H2,1H3
InChIKeyUGYJKZRSBYPQDJ-UHFFFAOYSA-N
XLogP0.78
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633189
2-cyclobutyloxy-1-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104634831
2-cyclobutyloxy-1-[5-(4-methoxythiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104634931
2-cyclobutyloxy-1-[5-(2-methylsulfanylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104634959
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-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-cyclobutyloxyethanamine
CID 104635052
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
1-[5-(7-bicyclo[4.1.0]heptanyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine
CID 104633796
2-ethoxy-1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104634060
4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]cyclohexan-1-ol
CID 113414322

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyloxy-1-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 2-cyclobutyloxy-1-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 104634860) is 2-cyclobutyloxy-1-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 2-cyclobutyloxy-1-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 2-cyclobutyloxy-1-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine is COCc1nc(C(N)COC2CCC2)no1.
What is the InChIKey of 2-cyclobutyloxy-1-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is UGYJKZRSBYPQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-14-6-9-12-10(13-16-9)8(11)5-15-7-3-2-4-7/h7-8H,2-6,11H2,1H3.
What are the key properties of 2-cyclobutyloxy-1-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
2-cyclobutyloxy-1-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 227.26 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyloxy-1-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 104634860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).