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

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Related Compounds

4-bromo-3-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline
CID 115296591
2-[2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 65412676
5-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
CID 136770740
N-[[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 65401412
5-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 65401013
2-chloro-6-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107050902
5-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
CID 65401824
4-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 65400403
5-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile
CID 106524981
4-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136904152
(R)-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898686
2-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 65403043

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).