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

C13H17N3O3S — CID 104634931

IUPAC2-cyclobutyloxy-1-[5-(4-methoxythiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCOc1csc(-c2nc(C(N)COC3CCC3)no2)c1
InChIInChI=1S/C13H17N3O3S/c1-17-9-5-11(20-7-9)13-15-12(16-19-13)10(14)6-18-8-3-2-4-8/h5,7-8,10H,2-4,6,14H2,1H3
InChIKeyJRTCBARZNSJGJZ-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.38
Rot. Bonds6

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

2-cyclobutyloxy-1-[5-(4-methoxythiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 104634931) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-cyclobutyloxy-1-[5-(4-methoxythiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-cyclobutyloxy-1-[5-(4-methoxythiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID104634931
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name2-cyclobutyloxy-1-[5-(4-methoxythiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCOc1csc(-c2nc(C(N)COC3CCC3)no2)c1
InChIInChI=1S/C13H17N3O3S/c1-17-9-5-11(20-7-9)13-15-12(16-19-13)10(14)6-18-8-3-2-4-8/h5,7-8,10H,2-4,6,14H2,1H3
InChIKeyJRTCBARZNSJGJZ-UHFFFAOYSA-N
XLogP2.38
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyloxy-1-[5-(4-methoxythiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 2-cyclobutyloxy-1-[5-(4-methoxythiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 104634931) is 2-cyclobutyloxy-1-[5-(4-methoxythiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 2-cyclobutyloxy-1-[5-(4-methoxythiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 2-cyclobutyloxy-1-[5-(4-methoxythiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine is COc1csc(-c2nc(C(N)COC3CCC3)no2)c1.
What is the InChIKey of 2-cyclobutyloxy-1-[5-(4-methoxythiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is JRTCBARZNSJGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-17-9-5-11(20-7-9)13-15-12(16-19-13)10(14)6-18-8-3-2-4-8/h5,7-8,10H,2-4,6,14H2,1H3.
What are the key properties of 2-cyclobutyloxy-1-[5-(4-methoxythiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
2-cyclobutyloxy-1-[5-(4-methoxythiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 295.36 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyloxy-1-[5-(4-methoxythiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 104634931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).