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

C17H23N3O — CID 65401412

IUPACN-[[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
SMILESCCC1CCCC(c2noc(CNc3ccccc3)n2)C1
InChIInChI=1S/C17H23N3O/c1-2-13-7-6-8-14(11-13)17-19-16(21-20-17)12-18-15-9-4-3-5-10-15/h3-5,9-10,13-14,18H,2,6-8,11-12H2,1H3
InChIKeyVRAUKBFLQSLJFE-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.37
Rot. Bonds5

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

N-[[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]aniline (PubChem CID 65401412) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]aniline.

Molecular Properties

Compound NameN-[[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
PubChem CID65401412
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
SMILESCCC1CCCC(c2noc(CNc3ccccc3)n2)C1
InChIInChI=1S/C17H23N3O/c1-2-13-7-6-8-14(11-13)17-19-16(21-20-17)12-18-15-9-4-3-5-10-15/h3-5,9-10,13-14,18H,2,6-8,11-12H2,1H3
InChIKeyVRAUKBFLQSLJFE-UHFFFAOYSA-N
XLogP4.37
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]butan-2-amine
CID 65401010
N-[[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-yn-1-amine
CID 79273730
4-chloro-N-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 64981819
1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 65414269
(R)-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898686
N-[3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)propyl]aniline
CID 64981860
2-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 65402238
N-[2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 60837266
1-cyclopropyl-2-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65414668
2-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 65403043
N-[[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 65415303
3-(3-ethylcyclohexyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 65402843

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]aniline?
The IUPAC name of N-[[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]aniline (CID 65401412) is N-[[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]aniline.
What is the SMILES notation for N-[[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]aniline?
The canonical SMILES for N-[[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]aniline is CCC1CCCC(c2noc(CNc3ccccc3)n2)C1.
What is the InChIKey of N-[[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]aniline?
The InChIKey is VRAUKBFLQSLJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-13-7-6-8-14(11-13)17-19-16(21-20-17)12-18-15-9-4-3-5-10-15/h3-5,9-10,13-14,18H,2,6-8,11-12H2,1H3.
What are the key properties of N-[[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]aniline?
N-[[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]aniline has a molecular weight of 285.39 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]aniline is sourced from PubChem (CID 65401412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).