(1S)-1-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]butan-1-amine

C12H23N3O2 — CID 107565568

IUPAC(1S)-1-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCCCC(OCC)c1noc([C@@H](N)CCC)n1
InChIInChI=1S/C12H23N3O2/c1-4-7-9(13)12-14-11(15-17-12)10(8-5-2)16-6-3/h9-10H,4-8,13H2,1-3H3/t9-,10?/m0/s1
InChIKeyWEJONHMZORBXGE-RGURZIINSA-N
MW241.33 g/mol
LogP2.75
Rot. Bonds8

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

(1S)-1-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]butan-1-amine (PubChem CID 107565568) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is (1S)-1-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]butan-1-amine.

Molecular Properties

Compound Name(1S)-1-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
PubChem CID107565568
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name(1S)-1-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCCCC(OCC)c1noc([C@@H](N)CCC)n1
InChIInChI=1S/C12H23N3O2/c1-4-7-9(13)12-14-11(15-17-12)10(8-5-2)16-6-3/h9-10H,4-8,13H2,1-3H3/t9-,10?/m0/s1
InChIKeyWEJONHMZORBXGE-RGURZIINSA-N
XLogP2.75
TPSA74.17 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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S,2S)-1-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900344
6-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine
CID 116702190
(1S)-1-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 104894817
1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43630134
[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
(1S)-1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565578
3-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluorobutan-2-one
CID 116732568
(1R)-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565561
(1S,2S)-1-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900343
2-[[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 116702297
1-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43670386

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The IUPAC name of (1S)-1-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]butan-1-amine (CID 107565568) is (1S)-1-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]butan-1-amine.
What is the SMILES notation for (1S)-1-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The canonical SMILES for (1S)-1-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]butan-1-amine is CCCC(OCC)c1noc([C@@H](N)CCC)n1.
What is the InChIKey of (1S)-1-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The InChIKey is WEJONHMZORBXGE-RGURZIINSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-4-7-9(13)12-14-11(15-17-12)10(8-5-2)16-6-3/h9-10H,4-8,13H2,1-3H3/t9-,10?/m0/s1.
What are the key properties of (1S)-1-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
(1S)-1-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]butan-1-amine has a molecular weight of 241.33 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]butan-1-amine is sourced from PubChem (CID 107565568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).