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

C14H25N3O3 — CID 116704184

IUPAC[5-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine
SMILESCCOC(c1noc(C2CCC(CN)O2)n1)C(C)(C)C
InChIInChI=1S/C14H25N3O3/c1-5-18-11(14(2,3)4)12-16-13(20-17-12)10-7-6-9(8-15)19-10/h9-11H,5-8,15H2,1-4H3
InChIKeyRQIUXMSPKIOFBF-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.37
Rot. Bonds5

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

[5-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine (PubChem CID 116704184) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is [5-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[5-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine
PubChem CID116704184
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name[5-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine
SMILESCCOC(c1noc(C2CCC(CN)O2)n1)C(C)(C)C
InChIInChI=1S/C14H25N3O3/c1-5-18-11(14(2,3)4)12-16-13(20-17-12)10-7-6-9(8-15)19-10/h9-11H,5-8,15H2,1-4H3
InChIKeyRQIUXMSPKIOFBF-UHFFFAOYSA-N
XLogP2.37
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine
CID 116702191
[5-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine
CID 116743678
3-(1-ethoxy-2,2-dimethylpropyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743668
5-(azepan-2-yl)-3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazole
CID 116704264
[5-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine
CID 116741356
[(2R,5S)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine
CID 119031140
[5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine;hydrochloride
CID 128964535
[2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 116702128
1-cyclopropyl-2-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 116733585
[(2R,5R)-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine
CID 129372919
[(2R,5S)-5-[3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine
CID 120893599
2-methoxy-1-[5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633520

Frequently Asked Questions

What is the IUPAC name of [5-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine?
The IUPAC name of [5-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine (CID 116704184) is [5-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine.
What is the SMILES notation for [5-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine?
The canonical SMILES for [5-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine is CCOC(c1noc(C2CCC(CN)O2)n1)C(C)(C)C.
What is the InChIKey of [5-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine?
The InChIKey is RQIUXMSPKIOFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-5-18-11(14(2,3)4)12-16-13(20-17-12)10-7-6-9(8-15)19-10/h9-11H,5-8,15H2,1-4H3.
What are the key properties of [5-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine?
[5-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine has a molecular weight of 283.37 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine is sourced from PubChem (CID 116704184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).