1-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine

C12H23N3O2 — CID 116733200

IUPAC1-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
SMILESCCCC(OCC)c1noc(CC(C)NC)n1
InChIInChI=1S/C12H23N3O2/c1-5-7-10(16-6-2)12-14-11(17-15-12)8-9(3)13-4/h9-10,13H,5-8H2,1-4H3
InChIKeyCXVXYOMYVRJSKD-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.10
Rot. Bonds8

About 1-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine

1-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine (PubChem CID 116733200) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
PubChem CID116733200
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name1-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
SMILESCCCC(OCC)c1noc(CC(C)NC)n1
InChIInChI=1S/C12H23N3O2/c1-5-7-10(16-6-2)12-14-11(17-15-12)8-9(3)13-4/h9-10,13H,5-8H2,1-4H3
InChIKeyCXVXYOMYVRJSKD-UHFFFAOYSA-N
XLogP2.10
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 116702297
2-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 116702358
[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]methanol
CID 116732822
3-(1-ethoxybutyl)-N-ethyl-1,2,4-oxadiazol-5-amine
CID 116730902
1-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine
CID 116703119
1-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-N,3,3-trimethylbutan-2-amine
CID 116733255
N-[[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylaniline
CID 116702383
1-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine
CID 116704244
(1S)-1-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565568
(1S,2S)-1-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900344
1-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine
CID 116733375
1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 116733624

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine (CID 116733200) is 1-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine is CCCC(OCC)c1noc(CC(C)NC)n1.
What is the InChIKey of 1-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine?
The InChIKey is CXVXYOMYVRJSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-5-7-10(16-6-2)12-14-11(17-15-12)8-9(3)13-4/h9-10,13H,5-8H2,1-4H3.
What are the key properties of 1-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine?
1-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine has a molecular weight of 241.33 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 116733200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).