2-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine

C10H13N3O2 — CID 79084815

IUPAC2-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCCc1ccc(-c2nc(CCN)no2)o1
InChIInChI=1S/C10H13N3O2/c1-2-7-3-4-8(14-7)10-12-9(5-6-11)13-15-10/h3-4H,2,5-6,11H2,1H3
InChIKeyHPDUDVWJZSSKCX-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.39
Rot. Bonds4

About 2-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine

2-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 79084815) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID79084815
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name2-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCCc1ccc(-c2nc(CCN)no2)o1
InChIInChI=1S/C10H13N3O2/c1-2-7-3-4-8(14-7)10-12-9(5-6-11)13-15-10/h3-4H,2,5-6,11H2,1H3
InChIKeyHPDUDVWJZSSKCX-UHFFFAOYSA-N
XLogP1.39
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 2-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 79084815) is 2-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 2-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine is CCc1ccc(-c2nc(CCN)no2)o1.
What is the InChIKey of 2-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is HPDUDVWJZSSKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-2-7-3-4-8(14-7)10-12-9(5-6-11)13-15-10/h3-4H,2,5-6,11H2,1H3.
What are the key properties of 2-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
2-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 207.23 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 79084815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).