(1S)-1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine

C15H23N5O — CID 104894691

IUPAC(1S)-1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
SMILESCCC1CCCC(c2noc([C@@H](N)Cc3cnc[nH]3)n2)C1
InChIInChI=1S/C15H23N5O/c1-2-10-4-3-5-11(6-10)14-19-15(21-20-14)13(16)7-12-8-17-9-18-12/h8-11,13H,2-7,16H2,1H3,(H,17,18)/t10?,11?,13-/m0/s1
InChIKeyZTLNSQMMMCURIP-XIVSLSHWSA-N
MW289.38 g/mol
LogP2.72
Rot. Bonds5

About (1S)-1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine

(1S)-1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine (PubChem CID 104894691) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is (1S)-1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
PubChem CID104894691
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name(1S)-1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
SMILESCCC1CCCC(c2noc([C@@H](N)Cc3cnc[nH]3)n2)C1
InChIInChI=1S/C15H23N5O/c1-2-10-4-3-5-11(6-10)14-19-15(21-20-14)13(16)7-12-8-17-9-18-12/h8-11,13H,2-7,16H2,1H3,(H,17,18)/t10?,11?,13-/m0/s1
InChIKeyZTLNSQMMMCURIP-XIVSLSHWSA-N
XLogP2.72
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1S)-1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine with MolForge

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Related Compounds

(1R)-2-(1H-imidazol-5-yl)-1-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104894609
1-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-(1H-imidazol-5-yl)ethanamine
CID 80609620
(1S)-2-(1H-imidazol-5-yl)-1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104894681
(1R)-1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565388
1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 107925146
(1R)-1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899805
(1S)-1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901665
(R)-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898686
(1S)-2-cyclopropyl-1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 112734867
1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 65414702
(1R)-1-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 104894658
1-cyclopropyl-2-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65414668

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine?
The IUPAC name of (1S)-1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine (CID 104894691) is (1S)-1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine.
What is the SMILES notation for (1S)-1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine?
The canonical SMILES for (1S)-1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine is CCC1CCCC(c2noc([C@@H](N)Cc3cnc[nH]3)n2)C1.
What is the InChIKey of (1S)-1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine?
The InChIKey is ZTLNSQMMMCURIP-XIVSLSHWSA-N. The full InChI is InChI=1S/C15H23N5O/c1-2-10-4-3-5-11(6-10)14-19-15(21-20-14)13(16)7-12-8-17-9-18-12/h8-11,13H,2-7,16H2,1H3,(H,17,18)/t10?,11?,13-/m0/s1.
What are the key properties of (1S)-1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine?
(1S)-1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine has a molecular weight of 289.38 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine is sourced from PubChem (CID 104894691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).