[3-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine

C16H23N3O2 — CID 116740949

IUPAC[3-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
SMILESCCOC(CC)(CC)c1noc(-c2cccc(CN)c2)n1
InChIInChI=1S/C16H23N3O2/c1-4-16(5-2,20-6-3)15-18-14(21-19-15)13-9-7-8-12(10-13)11-17/h7-10H,4-6,11,17H2,1-3H3
InChIKeyXECHWSLNOGILBA-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.25
Rot. Bonds7

About [3-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine

[3-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine (PubChem CID 116740949) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is [3-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
PubChem CID116740949
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name[3-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
SMILESCCOC(CC)(CC)c1noc(-c2cccc(CN)c2)n1
InChIInChI=1S/C16H23N3O2/c1-4-16(5-2,20-6-3)15-18-14(21-19-15)13-9-7-8-12(10-13)11-17/h7-10H,4-6,11,17H2,1-3H3
InChIKeyXECHWSLNOGILBA-UHFFFAOYSA-N
XLogP3.25
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 116741125
[3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 64539022
5-[3-(aminomethyl)phenyl]-1,2,4-oxadiazol-3-amine
CID 65417709
3-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 116781614
[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methanamine
CID 60894269
[3-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 116703177
2-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-6-fluoroaniline
CID 116740874
3-chloro-2-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 116741046
2-chloro-6-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 107051243
5-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
CID 116740903
3-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-4-fluoroaniline
CID 116740948
[4-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
CID 116741181

Frequently Asked Questions

What is the IUPAC name of [3-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine?
The IUPAC name of [3-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine (CID 116740949) is [3-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine.
What is the SMILES notation for [3-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine?
The canonical SMILES for [3-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine is CCOC(CC)(CC)c1noc(-c2cccc(CN)c2)n1.
What is the InChIKey of [3-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine?
The InChIKey is XECHWSLNOGILBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-16(5-2,20-6-3)15-18-14(21-19-15)13-9-7-8-12(10-13)11-17/h7-10H,4-6,11,17H2,1-3H3.
What are the key properties of [3-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine?
[3-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine has a molecular weight of 289.38 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine is sourced from PubChem (CID 116740949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).