[5-[5-(3-ethoxypropyl)-1,2,4-oxadiazol-3-yl]oxolan-2-yl]methanamine

C12H21N3O3 — CID 165498728

IUPAC[5-[5-(3-ethoxypropyl)-1,2,4-oxadiazol-3-yl]oxolan-2-yl]methanamine
SMILESCCOCCCc1nc(C2CCC(CN)O2)no1
InChIInChI=1S/C12H21N3O3/c1-2-16-7-3-4-11-14-12(15-18-11)10-6-5-9(8-13)17-10/h9-10H,2-8,13H2,1H3
InChIKeyVMFRWAISUPQEDC-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.22
Rot. Bonds7

About [5-[5-(3-ethoxypropyl)-1,2,4-oxadiazol-3-yl]oxolan-2-yl]methanamine

[5-[5-(3-ethoxypropyl)-1,2,4-oxadiazol-3-yl]oxolan-2-yl]methanamine (PubChem CID 165498728) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is [5-[5-(3-ethoxypropyl)-1,2,4-oxadiazol-3-yl]oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[5-[5-(3-ethoxypropyl)-1,2,4-oxadiazol-3-yl]oxolan-2-yl]methanamine
PubChem CID165498728
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name[5-[5-(3-ethoxypropyl)-1,2,4-oxadiazol-3-yl]oxolan-2-yl]methanamine
SMILESCCOCCCc1nc(C2CCC(CN)O2)no1
InChIInChI=1S/C12H21N3O3/c1-2-16-7-3-4-11-14-12(15-18-11)10-6-5-9(8-13)17-10/h9-10H,2-8,13H2,1H3
InChIKeyVMFRWAISUPQEDC-UHFFFAOYSA-N
XLogP1.22
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[5-[5-(1-methylcyclobutyl)-1,2,4-oxadiazol-3-yl]oxolan-2-yl]methanamine
CID 165491300
[(2R,5S)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine
CID 119031140
[5-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine
CID 116741356
2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106814794
[5-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine
CID 116704184
[5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine;hydrochloride
CID 128964535
3-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 65424422
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 65391886
5-(2-ethoxyethyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120960102
3-[3-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 115081555
5-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 65422093
4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 106815759

Frequently Asked Questions

What is the IUPAC name of [5-[5-(3-ethoxypropyl)-1,2,4-oxadiazol-3-yl]oxolan-2-yl]methanamine?
The IUPAC name of [5-[5-(3-ethoxypropyl)-1,2,4-oxadiazol-3-yl]oxolan-2-yl]methanamine (CID 165498728) is [5-[5-(3-ethoxypropyl)-1,2,4-oxadiazol-3-yl]oxolan-2-yl]methanamine.
What is the SMILES notation for [5-[5-(3-ethoxypropyl)-1,2,4-oxadiazol-3-yl]oxolan-2-yl]methanamine?
The canonical SMILES for [5-[5-(3-ethoxypropyl)-1,2,4-oxadiazol-3-yl]oxolan-2-yl]methanamine is CCOCCCc1nc(C2CCC(CN)O2)no1.
What is the InChIKey of [5-[5-(3-ethoxypropyl)-1,2,4-oxadiazol-3-yl]oxolan-2-yl]methanamine?
The InChIKey is VMFRWAISUPQEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-2-16-7-3-4-11-14-12(15-18-11)10-6-5-9(8-13)17-10/h9-10H,2-8,13H2,1H3.
What are the key properties of [5-[5-(3-ethoxypropyl)-1,2,4-oxadiazol-3-yl]oxolan-2-yl]methanamine?
[5-[5-(3-ethoxypropyl)-1,2,4-oxadiazol-3-yl]oxolan-2-yl]methanamine has a molecular weight of 255.32 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[5-(3-ethoxypropyl)-1,2,4-oxadiazol-3-yl]oxolan-2-yl]methanamine is sourced from PubChem (CID 165498728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).