3-[5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]propan-1-amine

C12H21N3O2 — CID 103166238

IUPAC3-[5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCCOC1CC(Cc2nc(CCCN)no2)C1
InChIInChI=1S/C12H21N3O2/c1-2-16-10-6-9(7-10)8-12-14-11(15-17-12)4-3-5-13/h9-10H,2-8,13H2,1H3
InChIKeyXHFVOITUIKGLQJ-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.32
Rot. Bonds7

About 3-[5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]propan-1-amine

3-[5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]propan-1-amine (PubChem CID 103166238) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-[5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]propan-1-amine
PubChem CID103166238
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name3-[5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCCOC1CC(Cc2nc(CCCN)no2)C1
InChIInChI=1S/C12H21N3O2/c1-2-16-10-6-9(7-10)8-12-14-11(15-17-12)4-3-5-13/h9-10H,2-8,13H2,1H3
InChIKeyXHFVOITUIKGLQJ-UHFFFAOYSA-N
XLogP1.32
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
CID 103166233
5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-amine
CID 103166250
3-(5-undecyl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 65428333
1-[5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
CID 103166227
3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62667403
3-[3-(thian-4-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 115081587
3-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2-oxazol-5-amine
CID 103164213
[5-(cyclohexylmethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61326432
2-[5-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 115077578
5-[(3-ethoxycyclobutyl)methyl]-4-propan-2-yl-1,2-oxazol-3-amine
CID 103167470
2-(3-butyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 79002327
2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106814794

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]propan-1-amine?
The IUPAC name of 3-[5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]propan-1-amine (CID 103166238) is 3-[5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]propan-1-amine.
What is the SMILES notation for 3-[5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]propan-1-amine?
The canonical SMILES for 3-[5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]propan-1-amine is CCOC1CC(Cc2nc(CCCN)no2)C1.
What is the InChIKey of 3-[5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]propan-1-amine?
The InChIKey is XHFVOITUIKGLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-2-16-10-6-9(7-10)8-12-14-11(15-17-12)4-3-5-13/h9-10H,2-8,13H2,1H3.
What are the key properties of 3-[5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]propan-1-amine?
3-[5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]propan-1-amine has a molecular weight of 239.32 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]propan-1-amine is sourced from PubChem (CID 103166238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).