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

C12H16N4O3 — CID 102926540

IUPAC5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESCOCCOCCc1noc(-c2ccc(N)nc2)n1
InChIInChI=1S/C12H16N4O3/c1-17-6-7-18-5-4-11-15-12(19-16-11)9-2-3-10(13)14-8-9/h2-3,8H,4-7H2,1H3,(H2,13,14)
InChIKeyPDVJHWAZJIEUFZ-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.92
Rot. Bonds7

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

5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine (PubChem CID 102926540) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
PubChem CID102926540
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESCOCCOCCc1noc(-c2ccc(N)nc2)n1
InChIInChI=1S/C12H16N4O3/c1-17-6-7-18-5-4-11-15-12(19-16-11)9-2-3-10(13)14-8-9/h2-3,8H,4-7H2,1H3,(H2,13,14)
InChIKeyPDVJHWAZJIEUFZ-UHFFFAOYSA-N
XLogP0.92
TPSA96.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The IUPAC name of 5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine (CID 102926540) is 5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The canonical SMILES for 5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine is COCCOCCc1noc(-c2ccc(N)nc2)n1.
What is the InChIKey of 5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The InChIKey is PDVJHWAZJIEUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-17-6-7-18-5-4-11-15-12(19-16-11)9-2-3-10(13)14-8-9/h2-3,8H,4-7H2,1H3,(H2,13,14).
What are the key properties of 5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine has a molecular weight of 264.28 g/mol, XLogP of 0.92, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 102926540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).