3-[[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline

C16H21N3O2 — CID 65415707

IUPAC3-[[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
SMILESCCC1CCC(c2noc(COc3cccc(N)c3)n2)C1
InChIInChI=1S/C16H21N3O2/c1-2-11-6-7-12(8-11)16-18-15(21-19-16)10-20-14-5-3-4-13(17)9-14/h3-5,9,11-12H,2,6-8,10,17H2,1H3
InChIKeyOYWXHKNSSRVMOC-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.52
Rot. Bonds5

About 3-[[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline

3-[[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline (PubChem CID 65415707) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-[[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline.

Molecular Properties

Compound Name3-[[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
PubChem CID65415707
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-[[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
SMILESCCC1CCC(c2noc(COc3cccc(N)c3)n2)C1
InChIInChI=1S/C16H21N3O2/c1-2-11-6-7-12(8-11)16-18-15(21-19-16)10-20-14-5-3-4-13(17)9-14/h3-5,9,11-12H,2,6-8,10,17H2,1H3
InChIKeyOYWXHKNSSRVMOC-UHFFFAOYSA-N
XLogP3.52
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline?
The IUPAC name of 3-[[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline (CID 65415707) is 3-[[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline.
What is the SMILES notation for 3-[[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline?
The canonical SMILES for 3-[[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline is CCC1CCC(c2noc(COc3cccc(N)c3)n2)C1.
What is the InChIKey of 3-[[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline?
The InChIKey is OYWXHKNSSRVMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-11-6-7-12(8-11)16-18-15(21-19-16)10-20-14-5-3-4-13(17)9-14/h3-5,9,11-12H,2,6-8,10,17H2,1H3.
What are the key properties of 3-[[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline?
3-[[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline has a molecular weight of 287.36 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline is sourced from PubChem (CID 65415707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).