[5-(3-ethyloxetan-3-yl)-1,2,4-oxadiazol-3-yl]methanamine

C8H13N3O2 — CID 131134173

IUPAC[5-(3-ethyloxetan-3-yl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCCC1(c2nc(CN)no2)COC1
InChIInChI=1S/C8H13N3O2/c1-2-8(4-12-5-8)7-10-6(3-9)11-13-7/h2-5,9H2,1H3
InChIKeyDGRZNCNARIHKPE-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.21
Rot. Bonds3

About [5-(3-ethyloxetan-3-yl)-1,2,4-oxadiazol-3-yl]methanamine

[5-(3-ethyloxetan-3-yl)-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 131134173) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is [5-(3-ethyloxetan-3-yl)-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(3-ethyloxetan-3-yl)-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID131134173
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name[5-(3-ethyloxetan-3-yl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCCC1(c2nc(CN)no2)COC1
InChIInChI=1S/C8H13N3O2/c1-2-8(4-12-5-8)7-10-6(3-9)11-13-7/h2-5,9H2,1H3
InChIKeyDGRZNCNARIHKPE-UHFFFAOYSA-N
XLogP0.21
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(3-ethyloxetan-3-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of [5-(3-ethyloxetan-3-yl)-1,2,4-oxadiazol-3-yl]methanamine (CID 131134173) is [5-(3-ethyloxetan-3-yl)-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for [5-(3-ethyloxetan-3-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for [5-(3-ethyloxetan-3-yl)-1,2,4-oxadiazol-3-yl]methanamine is CCC1(c2nc(CN)no2)COC1.
What is the InChIKey of [5-(3-ethyloxetan-3-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is DGRZNCNARIHKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-2-8(4-12-5-8)7-10-6(3-9)11-13-7/h2-5,9H2,1H3.
What are the key properties of [5-(3-ethyloxetan-3-yl)-1,2,4-oxadiazol-3-yl]methanamine?
[5-(3-ethyloxetan-3-yl)-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 183.21 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-ethyloxetan-3-yl)-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 131134173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).