2-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline

C17H23N3O — CID 65402238

IUPAC2-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
SMILESCCC1CCCC(c2noc(-c3ccccc3NC)n2)C1
InChIInChI=1S/C17H23N3O/c1-3-12-7-6-8-13(11-12)16-19-17(21-20-16)14-9-4-5-10-15(14)18-2/h4-5,9-10,12-13,18H,3,6-8,11H2,1-2H3
InChIKeyYVUWYRCWHKFPNG-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.46
Rot. Bonds4

About 2-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline

2-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline (PubChem CID 65402238) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline.

Molecular Properties

Compound Name2-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
PubChem CID65402238
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
SMILESCCC1CCCC(c2noc(-c3ccccc3NC)n2)C1
InChIInChI=1S/C17H23N3O/c1-3-12-7-6-8-13(11-12)16-19-17(21-20-16)14-9-4-5-10-15(14)18-2/h4-5,9-10,12-13,18H,3,6-8,11H2,1-2H3
InChIKeyYVUWYRCWHKFPNG-UHFFFAOYSA-N
XLogP4.46
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline?
The IUPAC name of 2-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline (CID 65402238) is 2-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline.
What is the SMILES notation for 2-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline?
The canonical SMILES for 2-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline is CCC1CCCC(c2noc(-c3ccccc3NC)n2)C1.
What is the InChIKey of 2-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline?
The InChIKey is YVUWYRCWHKFPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-12-7-6-8-13(11-12)16-19-17(21-20-16)14-9-4-5-10-15(14)18-2/h4-5,9-10,12-13,18H,3,6-8,11H2,1-2H3.
What are the key properties of 2-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline?
2-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline has a molecular weight of 285.39 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline is sourced from PubChem (CID 65402238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).