1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine

C12H23N3O3 — CID 102926817

IUPAC1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
SMILESCOCCOCCc1noc(C(N)C(C)(C)C)n1
InChIInChI=1S/C12H23N3O3/c1-12(2,3)10(13)11-14-9(15-18-11)5-6-17-8-7-16-4/h10H,5-8,13H2,1-4H3
InChIKeyFHFWZAXXEOQPOB-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.32
Rot. Bonds7

About 1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine

1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine (PubChem CID 102926817) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
PubChem CID102926817
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
SMILESCOCCOCCc1noc(C(N)C(C)(C)C)n1
InChIInChI=1S/C12H23N3O3/c1-12(2,3)10(13)11-14-9(15-18-11)5-6-17-8-7-16-4/h10H,5-8,13H2,1-4H3
InChIKeyFHFWZAXXEOQPOB-UHFFFAOYSA-N
XLogP1.32
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.32
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

(1S)-1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 102926963
(1R)-1-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 104899466
5-(1-chloroethyl)-3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazole
CID 102926413
(1R)-2,2-dimethyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 93258995
1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 102926580
(1S)-2,2-dimethyl-1-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104899383
ethyl 2-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]propanoate
CID 102926997
(1S)-1-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 104899660
(1S)-2,2-dimethyl-1-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 103472815
(1R)-2,2-dimethyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 94552169
1-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106814728
(1S)-2,2-dimethyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104899376

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine?
The IUPAC name of 1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine (CID 102926817) is 1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for 1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine is COCCOCCc1noc(C(N)C(C)(C)C)n1.
What is the InChIKey of 1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine?
The InChIKey is FHFWZAXXEOQPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-12(2,3)10(13)11-14-9(15-18-11)5-6-17-8-7-16-4/h10H,5-8,13H2,1-4H3.
What are the key properties of 1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine?
1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine has a molecular weight of 257.33 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 102926817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).