3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-5-ethoxyaniline

C16H21N3O2 — CID 81094693

IUPAC3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-5-ethoxyaniline
SMILESCCOc1cc(N)cc(-c2nnc(C3CCCCC3)o2)c1
InChIInChI=1S/C16H21N3O2/c1-2-20-14-9-12(8-13(17)10-14)16-19-18-15(21-16)11-6-4-3-5-7-11/h8-11H,2-7,17H2,1H3
InChIKeyBLONKZAUOGHAQB-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.77
Rot. Bonds4

About 3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-5-ethoxyaniline

3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-5-ethoxyaniline (PubChem CID 81094693) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-5-ethoxyaniline.

Molecular Properties

Compound Name3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-5-ethoxyaniline
PubChem CID81094693
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-5-ethoxyaniline
SMILESCCOc1cc(N)cc(-c2nnc(C3CCCCC3)o2)c1
InChIInChI=1S/C16H21N3O2/c1-2-20-14-9-12(8-13(17)10-14)16-19-18-15(21-16)11-6-4-3-5-7-11/h8-11H,2-7,17H2,1H3
InChIKeyBLONKZAUOGHAQB-UHFFFAOYSA-N
XLogP3.77
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.77
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-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-5-ethoxyaniline?
The IUPAC name of 3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-5-ethoxyaniline (CID 81094693) is 3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-5-ethoxyaniline.
What is the SMILES notation for 3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-5-ethoxyaniline?
The canonical SMILES for 3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-5-ethoxyaniline is CCOc1cc(N)cc(-c2nnc(C3CCCCC3)o2)c1.
What is the InChIKey of 3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-5-ethoxyaniline?
The InChIKey is BLONKZAUOGHAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-20-14-9-12(8-13(17)10-14)16-19-18-15(21-16)11-6-4-3-5-7-11/h8-11H,2-7,17H2,1H3.
What are the key properties of 3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-5-ethoxyaniline?
3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-5-ethoxyaniline has a molecular weight of 287.36 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-5-ethoxyaniline is sourced from PubChem (CID 81094693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).